Geometry & MOs

Info

ID:	163718
PubChem CID:	58874595
Reduced:	S2N3O3H29C33 (1)
Stoich.:	A2B3C3D29E33 (1)
Weight, g/mol:	578.14469
ΔH_f, kcal/mol:	3.09
Dipole, Da:	6.05
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hexanoylsulfamoyl)phenyl]-3-nitro-4-[4-(trifluoromethyl)anilino]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(CN(C3)C4=CC=CC(=C4)C5=CSC(=N5)C6=CC=CC=C6)C=C2

DOS

IR

Vibrations