Geometry & MOs

Info

ID:	214344
PubChem CID:	84975227
Reduced:	N3O3C17H26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	412.106848
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755335
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations