Geometry & MOs

Info

ID:	156542
PubChem CID:	56371071
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	395.176644
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	5.35
IP(EA), eV:	-8.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CCC3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations