Geometry & MOs

Info

ID:	37460
PubChem CID:	8021326
Reduced:	FNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	391.02193
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	4.08
IP(EA), eV:	-8.73(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylanilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations