Geometry & MOs

Info

ID:	60823
PubChem CID:	26702494
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	457.0325
ΔH_f, kcal/mol:	63.86
Dipole, Da:	4.0
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)/C=C/C1=CN(N=N1)CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations