Geometry & MOs

Info

ID:	37660
PubChem CID:	8022887
Reduced:	BrN3O4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	390.97054
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	6.83
IP(EA), eV:	-9.29(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-iodophenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N\NC(=O)CCOC2=CC(=CC=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations