Geometry & MOs

Info

ID:	383428
PubChem CID:	134975149
Reduced:	NPO4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	500.093192
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	1.66
IP(EA), eV:	-9.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[6-(4-cyano-3-ethoxycarbothioylsulfanylbutyl)pyridin-2-yl]-1-ethoxycarbothioylsulfanylpropyl] acetate

Drug info:

PubChemData

Smile

CCC(C)C(C#CC1=CC=CC=N1)OP(=O)(OCC)OCC

DOS

IR

Vibrations