Geometry & MOs

Info

ID:	388401
PubChem CID:	134989047
Reduced:	PO2Cl3C6H10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	256.149701
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	7.03
IP(EA), eV:	-10.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-2-sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCCO/C(=C/P(=O)(Cl)Cl)/Cl

DOS

IR

Vibrations