Geometry & MOs

Info

ID:	60824
PubChem CID:	26702504
Reduced:	BrFNO4H17C22 (1)
Stoich.:	ABCD4E17F22 (1)
Weight, g/mol:	413.083014
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	4.53
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)F

DOS

IR

Vibrations