Geometry & MOs

Info

ID:	163715
PubChem CID:	58874572
Reduced:	SN3O4F6H35C36 (1)
Stoich.:	AB3C4D6E35F36 (1)
Weight, g/mol:	537.168205
ΔH_f, kcal/mol:	-434.01
Dipole, Da:	9.28
IP(EA), eV:	-9.91(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzenesulfonylcarbamoyl)phenyl]-3-nitro-4-(2-pyrrolidin-1-ylethylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)CC(C2CCCCC2)NC(=O)C3=CC4=C(C=C3)N=C(C=C4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations