Geometry & MOs

Info

ID:	56684
PubChem CID:	21317899
Reduced:	NPO4S4C9H12 (1)
Stoich.:	ABC4D4E9F12 (1)
Weight, g/mol:	162.035065
ΔH_f, kcal/mol:	-154.02
Dipole, Da:	2.95
IP(EA), eV:	-8.86(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methoxy-3-sulfanylidenepropanoate

Drug info:

PubChemData

Smile

CCSC1=CC(=C(S1)C#N)OP(=O)(SOC)SOC

DOS

IR

Vibrations