Geometry & MOs

Info

ID:	219144
PubChem CID:	85090885
Reduced:	NSSeO7C27H46 (1)
Stoich.:	ABCD7E27F46 (1)
Weight, g/mol:	610.058632
ΔH_f, kcal/mol:	-348.55
Dipole, Da:	6.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758470
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CC(CC(=O)NCCS(=O)(=O)O)[Se])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

DOS

IR

Vibrations