Geometry & MOs

Info

ID:	203888
PubChem CID:	79889508
Reduced:	SO2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	2.17
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-nitrophenyl)sulfanylprop-2-enoate

Drug info:

PubChemData

Smile

CCCSC=CC(=O)OC

DOS

IR

Vibrations