Geometry & MOs

Info

ID:	143828
PubChem CID:	53267369
Reduced:	BrFNO3H23C25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	541.09001
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	3.13
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC

DOS

IR

Vibrations