Geometry & MOs

Info

ID:	143829
PubChem CID:	53267370
Reduced:	BrFNO5H25C27 (1)
Stoich.:	ABCD5E25F27 (1)
Weight, g/mol:	541.09001
ΔH_f, kcal/mol:	-170.44
Dipole, Da:	4.31
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[[(E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations