Geometry & MOs

Info

ID:	22050
PubChem CID:	595903
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-93.7
Dipole, Da:	2.95
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-3-methoxy-3-sulfanylidenepropanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)C(=S)OC

DOS

IR

Vibrations