Geometry & MOs

Info

ID:

32266

PubChem CID:

6436244

Reduced:

NaSO3N4H7C10 (1)

Stoich.:

ABC3D4E7F10 (1)

Weight, g/mol:

1215.857018

ΔHf, kcal/mol:

-48.93

Dipole, Da:

12.42

IP(EA), eV:

 -8.66(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,22,25,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CN1C=C(N=N1)/C=C\2/[C@@H]3N(C2=O)C(=CS3)C(=O)[O-].[Na+]

DOS

IR

Vibrations