Geometry & MOs

Info

ID:

191160

PubChem CID:

78113079

Reduced:

Cl2N3O5C28H31 (1)

Stoich.:

A2B3C5D28E31 (1)

Weight, g/mol:

944.450634

ΔHf, kcal/mol:

-167.94

Dipole, Da:

5.28

IP(EA), eV:

 -8.83(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 11-acetyloxy-12-ethyl-4-[17-ethyl-13-methoxycarbonyl-17-(phenylcarbamothioylamino)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=NO1)C2CCCCC2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)OC

DOS

IR

Vibrations