Geometry & MOs

Info

ID:	388291
PubChem CID:	134988701
Reduced:	OPCl2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	3.84
IP(EA), eV:	-8.68(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-phenyl-2-sulfinylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations