Geometry & MOs

Info

ID:	426887
PubChem CID:	135154358
Reduced:	FO2N5H26C32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	513.193153
ΔH_f, kcal/mol:	30.66
Dipole, Da:	5.17
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)CN2C(=O)[C@](N=C2N)(C3=CC=C(C=C3)F)C4=CC=CC(=C4)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations