Geometry & MOs

Info

ID:

43411

PubChem CID:

10321252

Reduced:

SiN2O5C23H32 (1)

Stoich.:

AB2C5D23E32 (1)

Weight, g/mol:

444.287574

ΔHf, kcal/mol:

-149.28

Dipole, Da:

6.89

IP(EA), eV:

 -8.88(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dihydroxy-4-[[(1R,2S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-2-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CC#CCCN1C(=O)CCC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations