Geometry & MOs

Info

ID:

44024

PubChem CID:

10322951

Reduced:

SN3O5C25H27 (1)

Stoich.:

AB3C5D25E27 (1)

Weight, g/mol:

481.267567

ΔHf, kcal/mol:

-107.69

Dipole, Da:

8.78

IP(EA), eV:

 -8.62(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-aminopropanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC(=CC=C1)N(C2=CC=C(C=C2)OC)C(=O)C3=C(N=CC=C3)OCC4CC4

DOS

IR

Vibrations