Geometry & MOs

Info

ID:	52558
PubChem CID:	12015474
Reduced:	O2C9H9 (4)
Stoich.:	A2B9C9 (4)
Weight, g/mol:	500.241018
ΔH_f, kcal/mol:	-292.81
Dipole, Da:	2.72
IP(EA), eV:	-9.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C2[C@@H](CC13C(=O)OC(OC3=O)(C)C)[C@@H]4CC5(C(=C4[C@H]([C@@H]2C6=CC=CC=C6)C7=CC=CC=C7)C)C(=O)OC(OC5=O)(C)C

DOS

IR

Vibrations