Geometry & MOs

Info

ID:	378098
PubChem CID:	134224169
Reduced:	ClFNO3H15C23 (1)
Stoich.:	ABCD3E15F23 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	5.22
IP(EA), eV:	-9.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2Z,5Z)-2-amino-3-methyl-1-(3-methylphenyl)-1-oxoocta-2,5,7-trien-4-ylidene]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)F)C(=C2C(=O)O)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations