Geometry & MOs

Info

ID:

214840

PubChem CID:

85083728

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

620.428819

ΔHf, kcal/mol:

-248.72

Dipole, Da:

6.03

IP(EA), eV:

 -9.08(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl]oxy]-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations