Geometry & MOs

Info

ID:	195978
PubChem CID:	78759007
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	3.35
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-ylsulfonyl-2-oxo-N-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2CC(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations