Geometry & MOs

Info

ID:

15127

PubChem CID:

430150

Reduced:

N2O4C23H28 (2)

Stoich.:

A2B4C23D28 (2)

Weight, g/mol:

792.409815

ΔHf, kcal/mol:

-239.07

Dipole, Da:

3.87

IP(EA), eV:

 -7.98(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 11-acetyloxy-12-ethyl-4-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=C(C(=C5)OC)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C

DOS

IR

Vibrations