Geometry & MOs

Info

ID:

168867

PubChem CID:

75029931

Reduced:

Cl2O4N5H21C28 (1)

Stoich.:

A2B4C5D21E28 (1)

Weight, g/mol:

786.358842

ΔHf, kcal/mol:

-22.18

Dipole, Da:

6.66

IP(EA), eV:

 -9.09(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)N2C3=CC=CC=C3C=N2)C4=CC=C(C=C4)CC(C(=O)O)NC(=O)C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations