Geometry & MOs

Info

ID:	192045
PubChem CID:	78219768
Reduced:	FSO3N4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	490.159614
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877840
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(7-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)CSC1=[N+](C2C(=N1)N(C(=O)N(C2=O)C)C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations