Geometry & MOs

Info

ID:

46844

PubChem CID:

10527788

Reduced:

SN4O5C22H24 (1)

Stoich.:

AB4C5D22E24 (1)

Weight, g/mol:

456.251189

ΔHf, kcal/mol:

-110.15

Dipole, Da:

7.14

IP(EA), eV:

 -8.55(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,7S,8Z,12S,13S,14S)-14-acetyloxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-3,8,16-trien-12-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)NCCO)OC

DOS

IR

Vibrations