Geometry & MOs

Info

ID:	56683
PubChem CID:	21317898
Reduced:	NPSO4C10H14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	356.93868
ΔH_f, kcal/mol:	-199.23
Dipole, Da:	8.18
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bis(methoxysulfanyl)phosphoryloxy-5-ethylsulfanylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC1=C(SC(=C1)C)C#N

DOS

IR

Vibrations