Geometry & MOs

Info

ID:	358771
PubChem CID:	127296637
Reduced:	S2O3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	5.36
IP(EA), eV:	-8.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-6-(4-methylidenepiperidine-1-carbonyl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations