Geometry & MOs

Info

ID:	268122
PubChem CID:	103597957
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	362.979
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	1.99
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodofuran-2-yl)-1-(1,4-thiazepan-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations