Geometry & MOs

Info

ID:	188609
PubChem CID:	77741694
Reduced:	SN2O6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	550.016625
ΔH_f, kcal/mol:	-238.81
Dipole, Da:	3.54
IP(EA), eV:	-9.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-chloro-3-(3-methylpyrrolidin-3-yl)oxyphenyl]-4-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C(CO)NS(=O)(=O)CC1=CC=CC=C1

DOS

IR

Vibrations