Geometry & MOs

Info

ID:	146404
PubChem CID:	53684111
Reduced:	FSN3O6C28H30 (1)
Stoich.:	ABC3D6E28F30 (1)
Weight, g/mol:	286.039672
ΔH_f, kcal/mol:	-211.74
Dipole, Da:	4.84
IP(EA), eV:	-8.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)S(=O)(=O)N(C)C2=CC(=C(C=C2)OC)C3=CC4(CCCC4C5=CC=C(C=C5)F)OC3C(=O)OC

DOS

IR

Vibrations