Geometry & MOs

Info

ID:	1631
PubChem CID:	4793
Reduced:	ClNPS2O4C12H15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	366.986865
ΔH_f, kcal/mol:	-229.63
Dipole, Da:	4.23
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O

DOS

IR

Vibrations