Geometry & MOs

Info

ID:	60865
PubChem CID:	26702750
Reduced:	BrNF3O3H13C16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	485.0474
ΔH_f, kcal/mol:	-231.32
Dipole, Da:	3.69
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 4-bromo-3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations