Geometry & MOs

Info

ID:	153375
PubChem CID:	56312562
Reduced:	NSO2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	485.155532
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	7.56
IP(EA), eV:	-8.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations