Geometry & MOs

Info

ID:	139793
PubChem CID:	52596216
Reduced:	SO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	444.092597
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976982
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@H](CNC(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2)C3=CSC=C3

DOS

IR

Vibrations