Geometry & MOs

Info

ID:	383299
PubChem CID:	134974937
Reduced:	NPSO3C9H20 (1)
Stoich.:	ABCD3E9F20 (1)
Weight, g/mol:	481.098612
ΔH_f, kcal/mol:	-174.29
Dipole, Da:	2.8
IP(EA), eV:	-8.42(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-cyano-4-[6-(4-cyano-3-ethoxycarbothioylsulfanylbutyl)pyridin-2-yl]butan-2-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

C[C@]1(CN1SC(C)(C)C)P(=O)(OC)OC

DOS

IR

Vibrations