Geometry & MOs

Info

ID:	225109
PubChem CID:	85741782
Reduced:	NOSC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	306.956976
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	3.49
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2,3,3-trichloroprop-2-enoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations