Geometry & MOs

Info

ID:	396910
PubChem CID:	135029416
Reduced:	N3O6C20H35 (1)
Stoich.:	A3B6C20D35 (1)
Weight, g/mol:	567.331979
ΔH_f, kcal/mol:	-322.59
Dipole, Da:	5.6
IP(EA), eV:	-9.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-4-fluoro-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanoate

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

C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

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

C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):