Geometry & MOs

Info

ID:

180155

PubChem CID:

76586274

Reduced:

ClNSO6C26H26 (1)

Stoich.:

ABCD6E26F26 (1)

Weight, g/mol:

992.500755

ΔHf, kcal/mol:

-174.46

Dipole, Da:

7.2

IP(EA), eV:

 -8.46(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-[10-[[[2-(2,4-dioxo-1,3-diazinan-1-yl)-2-(1-oxobutan-2-yloxy)ethylidene]amino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C(=O)C2=O)SCC4(O3)CCN(CC4)CC(COC5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations