Geometry & MOs

Info

ID:	230353
PubChem CID:	87570703
Reduced:	OCl2H8C9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	448.142525
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	3.16
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=C(Cl)Cl)O

DOS

IR

Vibrations