Geometry & MOs

Info

ID:	394573
PubChem CID:	135023247
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	480.199547
ΔH_f, kcal/mol:	-159.43
Dipole, Da:	1.04
IP(EA), eV:	-9.78(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,12E)-18-hydroxy-4-methyl-16-[(4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@@]2(CCC[C@](C1)(O2)CC=C)C

DOS

IR

Vibrations