Geometry & MOs

Info

ID:

192755

PubChem CID:

78308736

Reduced:

ClSN2O4C27H35 (1)

Stoich.:

ABC2D4E27F35 (1)

Weight, g/mol:

572.172341

ΔHf, kcal/mol:

-169.81

Dipole, Da:

8.43

IP(EA), eV:

 -9.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2C)CC3CC4CC(CCC4NC3=O)OC)Cl

DOS

IR

Vibrations