Geometry & MOs

Info

ID:	135772
PubChem CID:	51934225
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	387.124223
ΔH_f, kcal/mol:	-178.21
Dipole, Da:	4.1
IP(EA), eV:	-8.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CSCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

DOS

IR

Vibrations