Geometry & MOs

Info

ID:	154314
PubChem CID:	56313727
Reduced:	S2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	6.71
IP(EA), eV:	-8.71(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations