Geometry & MOs

Info

ID:	80064
PubChem CID:	49832627
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	6.39
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[[[(3S)-1-[(2,3-difluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)[C@@H]4CCOC5=C4C=C(C=C5)F

DOS

IR

Vibrations