Geometry & MOs

Info

ID:	56682
PubChem CID:	21317896
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	275.038116
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	7.32
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-5-methylthiophen-3-yl) diethyl phosphate

Drug info:

PubChemData

Smile

CCCC1=CC(=C(S1)C#N)O

DOS

IR

Vibrations