Geometry & MOs

Info

ID:	302014
PubChem CID:	123109975
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-152.52
Dipole, Da:	6.43
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(prop-2-enylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations