Geometry & MOs

Info

ID:	143824
PubChem CID:	53267296
Reduced:	BrFN3O5H9C14 (1)
Stoich.:	ABC3D5E9F14 (1)
Weight, g/mol:	530.04888
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	1.54
IP(EA), eV:	-9.56(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

DOS

IR

Vibrations