Geometry & MOs

Info

ID:	153650
PubChem CID:	56312935
Reduced:	S2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	495.051183
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	6.14
IP(EA), eV:	-8.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4C

DOS

IR

Vibrations