Geometry & MOs

Info

ID:	398220
PubChem CID:	135032344
Reduced:	NS2O6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	419.031972
ΔH_f, kcal/mol:	-217.03
Dipole, Da:	6.2
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-(1,3-dioxoisoindol-2-yl)-4-oxo-4-thiophen-2-ylbutyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CCC(N1C(=O)C2=CC=CC=C2C1=O)SC(=S)OCC

DOS

IR

Vibrations