Geometry & MOs

Info

ID:	155682
PubChem CID:	56366882
Reduced:	SO3N4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	449.144299
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	4.87
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[(3-piperidin-1-ylsulfonylphenyl)methylamino]butyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

DOS

IR

Vibrations