Geometry & MOs

Info

ID:	150698
PubChem CID:	53790392
Reduced:	OF4C25H34 (1)
Stoich.:	AB4C25D34 (1)
Weight, g/mol:	428.092974
ΔH_f, kcal/mol:	-257.04
Dipole, Da:	5.8
IP(EA), eV:	-9.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-2-oxo-1-phenylethyl) (6R)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

C=CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OC(F)F)F

DOS

IR

Vibrations