Geometry & MOs

Info

ID:	61728
PubChem CID:	26712219
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	499.126935
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	7.66
IP(EA), eV:	-9.25(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[butyl(methyl)sulfamoyl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

DOS

IR

Vibrations