Geometry & MOs

Info

ID:

297544

PubChem CID:

117620754

Reduced:

N2O2C25H30 (1)

Stoich.:

A2B2C25D30 (1)

Weight, g/mol:

498.261754

ΔHf, kcal/mol:

-42.15

Dipole, Da:

2.66

IP(EA), eV:

 -8.78(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,5S,6R,12S)-4,14-dihydroxy-6-[(E)-4-hydroxy-4-methylpent-2-enoyl]-2,6,11,16,16-pentamethyl-7-oxapentacyclo[9.8.0.02,8.05,8.012,17]nonadeca-13,17-diene-10,15-dione

Drug info:

PubChemData

Smile

CCCCOC1=NC2=C(C=CC=C2C3(CCN(CC3)CC4=CC=CC=C4)O)C=C1

DOS

IR

Vibrations