Geometry & MOs

Info

ID:	30994
PubChem CID:	854056
Reduced:	OS4C5H6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	227.094629
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	4.51
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-anilinophenyl)acetic acid

Drug info:

PubChemData

Smile

CSC1=C(SC(=O)S1)SC

DOS

IR

Vibrations