Geometry & MOs

Info

ID:	124500
PubChem CID:	50885394
Reduced:	BrINO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	442.097187
ΔH_f, kcal/mol:	14.09
Dipole, Da:	2.67
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-chloro-5-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C=NC2=CC=CC=C2I)OC

DOS

IR

Vibrations