Geometry & MOs

Info

ID:	219356
PubChem CID:	85147159
Reduced:	NSO5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	393.135638
ΔH_f, kcal/mol:	-193.54
Dipole, Da:	5.18
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3aH-benzimidazol-2-yl)-6-chloro-4-(piperidin-3-ylamino)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C=O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

DOS

IR

Vibrations