Geometry & MOs

Info

ID:	17204
PubChem CID:	488110
Reduced:	F2N3O8C40H49 (1)
Stoich.:	A2B3C8D40E49 (1)
Weight, g/mol:	737.348772
ΔH_f, kcal/mol:	-417.33
Dipole, Da:	6.86
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[(4S)-2,2-difluoro-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxo-5-(4-phenylmethoxyphenyl)pentanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C(C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C)(F)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C(C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C)(F)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):