Geometry & MOs

Info

ID:

32298

PubChem CID:

6436405

Reduced:

SN2O7C17H22 (1)

Stoich.:

AB2C7D17E22 (1)

Weight, g/mol:

1187.825718

ΔHf, kcal/mol:

-257.81

Dipole, Da:

4.37

IP(EA), eV:

 -8.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

30-ethyl-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-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

CN1CCCN=C1/C=C/C2=CC=CS2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations