Geometry & MOs

Info

ID:	230354
PubChem CID:	87570705
Reduced:	OS3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	464.13744
ΔH_f, kcal/mol:	26.41
Dipole, Da:	3.58
IP(EA), eV:	-8.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-pyridin-4-ylsulfanyl-2-sulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N)N1CCC(CC1)N(CC2=CSC=C2)C(=S)CSC3=CC=NC=C3

DOS

IR

Vibrations