Geometry & MOs

Info

ID:	392270
PubChem CID:	135014067
Reduced:	O3C27H40 (1)
Stoich.:	A3B27C40 (1)
Weight, g/mol:	490.06411
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	5.19
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-5-iodo-6-phenyl-7a-(3-phenylmethoxypropyl)-4,7-dihydro-3aH-1,3-benzodioxol-2-one

Drug info:

PubChemData

Smile

CC(=CCC1CC2(C(=CC(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)OC)CC=C(C)C)C

DOS

IR

Vibrations