Geometry & MOs

Info

ID:	143830
PubChem CID:	53267371
Reduced:	BrFNO5H25C27 (1)
Stoich.:	ABCD5E25F27 (1)
Weight, g/mol:	530.04888
ΔH_f, kcal/mol:	-166.11
Dipole, Da:	3.01
IP(EA), eV:	-9.1(-0.87)
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-4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC

DOS

IR

Vibrations