Geometry & MOs

Info

ID:

215180

PubChem CID:

85084320

Reduced:

Br2N2O9H26C32 (1)

Stoich.:

A2B2C9D26E32 (1)

Weight, g/mol:

742.332627

ΔHf, kcal/mol:

-233.27

Dipole, Da:

13.18

IP(EA), eV:

 -9.31(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,13,29-tetramethyl-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

CCC(C1=CC2=CC(=CC(=C2O1)Br)Br)N3C=CN=C3.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations