Geometry & MOs

Info

ID:	46531
PubChem CID:	10525044
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-160.29
Dipole, Da:	3.27
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4aS,6aR,12aR,12bS)-11-hydroxy-4,4,6a,9,12b-pentamethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-10-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C

DOS

IR

Vibrations