Geometry & MOs

Info

ID:

215361

PubChem CID:

85084607

Reduced:

N8O13C39H52 (1)

Stoich.:

A8B13C39D52 (1)

Weight, g/mol:

841.437427

ΔHf, kcal/mol:

-557.36

Dipole, Da:

7.87

IP(EA), eV:

 -9.72(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(dimethylamino)ethyl]-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

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations