Geometry & MOs

Info

ID:	18099
PubChem CID:	538179
Reduced:	O4C12H17 (2)
Stoich.:	A4B12C17 (2)
Weight, g/mol:	450.225368
ΔH_f, kcal/mol:	-346.69
Dipole, Da:	3.3
IP(EA), eV:	-9.95(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[13-acetyloxy-1,5,6-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate

Drug info:

PubChemData

Smile

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(C4(CC(=C3)CO)O)O)C)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations