Geometry & MOs

Info

ID:	194750
PubChem CID:	78585354
Reduced:	FN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	377.00628
ΔH_f, kcal/mol:	-203.96
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755637
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] 3-(4-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC[N+]1=C(C(C(=O)N(C1=O)C)C(=O)COC(=O)C=CC2=CC=CC=C2F)N

DOS

IR

Vibrations