Geometry & MOs

Info

ID:	192043
PubChem CID:	78219566
Reduced:	SN2O6C28H34 (1)
Stoich.:	AB2C6D28E34 (1)
Weight, g/mol:	462.1647
ΔH_f, kcal/mol:	-206.09
Dipole, Da:	6.54
IP(EA), eV:	-8.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2CC(C(=O)NC2CC1C)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(=O)C

DOS

IR

Vibrations