Geometry & MOs

Info

ID:	152614
PubChem CID:	56311589
Reduced:	ClN4O5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	6.44
IP(EA), eV:	-8.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations