Geometry & MOs

Info

ID:	60455
PubChem CID:	26687247
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	430.99686
ΔH_f, kcal/mol:	-96.25
Dipole, Da:	7.66
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 2,5-difluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC

DOS

IR

Vibrations