Geometry & MOs

Info

ID:	398219
PubChem CID:	135032343
Reduced:	ClNS2O4C16H16 (1)
Stoich.:	ABC2D4E16F16 (1)
Weight, g/mol:	423.08103
ΔH_f, kcal/mol:	-126.72
Dipole, Da:	6.05
IP(EA), eV:	-8.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(1,3-dioxoisoindol-2-yl)-6-ethoxycarbothioylsulfanyl-3-oxohexanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations