Geometry & MOs

Info

ID:	426886
PubChem CID:	135154356
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	531.207053
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	7.57
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4S)-2-amino-4-[3-(3-cyanophenyl)phenyl]-4-(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(NC(=O)C(=C1)C(=O)OC)N2CCC(CC2)OC3=CN=C(C=C3)OC

DOS

IR

Vibrations