Geometry & MOs

Info

ID:	59632
PubChem CID:	24890985
Reduced:	NS2O6C28H31 (1)
Stoich.:	AB2C6D28E31 (1)
Weight, g/mol:	467.091532
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	5.68
IP(EA), eV:	-7.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanophenyl)-N-(quinolin-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C=C3C)(C)C)COC(=O)C4=CC=C(S4)C)OC

DOS

IR

Vibrations