Geometry & MOs

Info

ID:	16389
PubChem CID:	466461
Reduced:	O4C23H30 (1)
Stoich.:	A4B23C30 (1)
Weight, g/mol:	370.214409
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	7.51
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,6aS,12aR,12bS)-4,4,6a,12b-tetramethyl-9-oxo-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-10-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C[C@@H]3[C@]4(CCCC([C@@H]4CC[C@@]3(OC2=CC1=O)C)(C)C)C

DOS

IR

Vibrations