Geometry & MOs

Info

ID:

219917

PubChem CID:

85165040

Reduced:

SiN3O7C32H49 (1)

Stoich.:

AB3C7D32E49 (1)

Weight, g/mol:

615.392374

ΔHf, kcal/mol:

-367.53

Dipole, Da:

3.04

IP(EA), eV:

 -8.89(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-hydroxyimino-2,2,6b,9,9,12a-hexamethyl-6a-(3-phenylprop-2-enoyloxymethyl)-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CCC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations