Geometry & MOs

Info

ID:	319568
PubChem CID:	126656642
Reduced:	FPSO2N4C17H20 (1)
Stoich.:	ABCD2E4F17G20 (1)
Weight, g/mol:	262.94433
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	4.59
IP(EA), eV:	-8.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=C(C=C2N(C)PC)NC3=C(C=C(C=C3)S(=O)(=O)C)F

DOS

IR

Vibrations