Geometry & MOs

Info

ID:	309509
PubChem CID:	126546732
Reduced:	F2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	389.163851
ΔH_f, kcal/mol:	-281.65
Dipole, Da:	4.61
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-[(3aS,5S)-6-oxo-5-prop-2-enyl-4,5-dihydro-1,3-benzodioxol-3a-yl]ethyl]-4-fluoro-2-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C(=C1)F)CC(C)[C@]23CCC(=O)C[C@H]2OC(O3)C)F

DOS

IR

Vibrations