Geometry & MOs

Info

ID:

376837

PubChem CID:

134222866

Reduced:

ClN4C13H19 (1)

Stoich.:

AB4C13D19 (1)

Weight, g/mol:

1130.411235

ΔHf, kcal/mol:

58.06

Dipole, Da:

3.06

IP(EA), eV:

-8.25(-0.95)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4Z,24E)-6,11,21,26,31-pentakis(2-hydroxyethyl)-15,35-bis(hydroxymethyl)-25,29-dimethyl-2,7,12,14,17,22,27,32,34-nonaoxatricyclo[31.2.2.213,16]nonatriaconta-4,9,19,24,29-pentaene-3,4,5,8,9,10,18,19,20,23,24,28,30,36,37,38,39-heptadecol

Drug info:

PubChemData

Smile

CCCN=C(C)N=C1C(=CC=C(C1=NC)NC)Cl

DOS

IR

Vibrations