Geometry & MOs

Info

ID:	378217
PubChem CID:	134224293
Reduced:	NCl2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	379.102
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	11.43
IP(EA), eV:	-8.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E,5Z,7Z)-3-(2,6-difluorobenzoyl)-4-methylideneazocin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1NC2=CC=C(C=C2)C(=O)O)C(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations