Geometry & MOs

Info

ID:	140446
PubChem CID:	52698596
Reduced:	SN3O3C22H36 (1)
Stoich.:	AB3C3D22E36 (1)
Weight, g/mol:	463.117747
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752965
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-methylanilino)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC[C@@H](C)C[NH+]3CCCC3)C

DOS

IR

Vibrations