Geometry & MOs

Info

ID:	13441
PubChem CID:	232588
Reduced:	S3N4O8H26C28 (1)
Stoich.:	A3B4C8D26E28 (1)
Weight, g/mol:	642.091277
ΔH_f, kcal/mol:	-239.98
Dipole, Da:	16.99
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfonylphenyl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations