Geometry & MOs

Info

ID:	49973
PubChem CID:	11538558
Reduced:	ClN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	399.108228
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	8.4
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-[3-fluoro-4-[[(3-fluorobenzoyl)amino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C3=C2C(=O)NC3=O)C4=CC=CC=C4Cl)COCCOC

DOS

IR

Vibrations