Geometry & MOs

Info

ID:

441129

PubChem CID:

135233249

Reduced:

ClF2O4N5H24C30 (1)

Stoich.:

AB2C4D5E24F30 (1)

Weight, g/mol:

633.206672

ΔHf, kcal/mol:

-88.61

Dipole, Da:

10.11

IP(EA), eV:

 -9.65(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(2-amino-3-methanimidoylphenyl)-N-[(1S)-1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(=O)N([C@@H]1C(=O)N(C2=CC=CC3=C2C3)C(C4=CC=CC=C4Cl)C(=O)NC5CC(C5)(F)F)C6=NC=CC(=C6)C#N

DOS

IR

Vibrations