Geometry & MOs

Info

ID:	54088
PubChem CID:	14720046
Reduced:	F2N3O3C21H33 (1)
Stoich.:	A2B3C3D21E33 (1)
Weight, g/mol:	981.481183
ΔH_f, kcal/mol:	-261.09
Dipole, Da:	2.74
IP(EA), eV:	-9.42(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-3-hydroxy-6-methylheptan-4-yl]amino]-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxopropyl]imidazole-1-carboxylate

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[C@@H](C(C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)O)N

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[C@@H](C(C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):