Geometry & MOs

Info

ID:	165201
PubChem CID:	74516240
Reduced:	OSN2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	315.066221
ΔH_f, kcal/mol:	-4.9
Dipole, Da:	2.21
IP(EA), eV:	-9.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-chlorophenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(=C1NC(=O)CS1)C#N

DOS

IR

Vibrations