Geometry & MOs

Info

ID:	77637
PubChem CID:	49658540
Reduced:	ClSO4N5H20C21 (1)
Stoich.:	ABC4D5E20F21 (1)
Weight, g/mol:	461.063462
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	4.43
IP(EA), eV:	-9.36(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCOC)C3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations