Geometry & MOs

Info

ID:	308289
PubChem CID:	125325775
Reduced:	OH20C23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	643.07031
ΔH_f, kcal/mol:	215.73
Dipole, Da:	2.84
IP(EA), eV:	-9.97(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R,5aR,8aS,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-iodobenzamide

Drug info:

PubChemData

Smile

CCC#CCC#CCC#CCC#CCC#CCC#CCC#CCO

DOS

IR

Vibrations