Geometry & MOs

Info

ID:	218425
PubChem CID:	85089423
Reduced:	SO3C28H48 (1)
Stoich.:	AB3C28D48 (1)
Weight, g/mol:	464.160181
ΔH_f, kcal/mol:	-213.9
Dipole, Da:	3.71
IP(EA), eV:	-9.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyl-1-acetyloxy-5-chloro-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[7,6-h]isochromen-3-yl) acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)CS(=O)(=O)O)C)C

DOS

IR

Vibrations