Geometry & MOs

Info

ID:	144964
PubChem CID:	53440677
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	5.55
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzamido-2-sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1(CC=CS1)C(=O)C2=CC=CC=C2O

DOS

IR

Vibrations