Geometry & MOs

Info

ID:	328163
PubChem CID:	126692728
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	378.130109
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	2.14
IP(EA), eV:	-8.96(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7aR)-7a-[(2R)-1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-6-(1-sulfanylprop-2-enyl)-6,7-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC/C(=C(\C)/OC(=NC)C)/C

DOS

IR

Vibrations