Geometry & MOs

Info

ID:	170647
PubChem CID:	75263027
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	338.114568
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	6.07
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-chloro-4-nitroanilino)ethyl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations