Geometry & MOs

Info

ID:	381804
PubChem CID:	134972634
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	5.11
IP(EA), eV:	-8.82(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-4-oxo-4-(2-sulfanylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=NOC(CC1C2=CC=C(C=C2)OC)(C)C

DOS

IR

Vibrations