Geometry & MOs

Info

ID:	367604
PubChem CID:	127325093
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	7.47
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylsulfanyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)NC(=O)C=C2)NC(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations