Geometry & MOs

Info

ID:

49356

PubChem CID:

11532905

Reduced:

N2S2O6C21H30 (1)

Stoich.:

A2B2C6D21E30 (1)

Weight, g/mol:

470.33961

ΔHf, kcal/mol:

-219.31

Dipole, Da:

9.08

IP(EA), eV:

 -8.82(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6aR,6bR,12aR)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC1=C(C=C(C=C1)OC2=CC=C(C=C2)OC)NS(=O)(=O)CCCC

DOS

IR

Vibrations