Geometry & MOs

Info

ID:	378232
PubChem CID:	134224308
Reduced:	FNCl2O3H14C22 (1)
Stoich.:	ABC2D3E14F22 (1)
Weight, g/mol:	397.124485
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	3.71
IP(EA), eV:	-9.11(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[3-(2-chloro-6-methylphenyl)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]amino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1C=CC(=C(C1Cl)C(=O)C2=CN(C3=CC=CC=C32)C4=C(C=C(C=C4)C(=O)O)F)Cl

DOS

IR

Vibrations