Geometry & MOs

Info

ID:

304363

PubChem CID:

124558769

Reduced:

SO2N4H24C36 (1)

Stoich.:

AB2C4D24E36 (1)

Weight, g/mol:

560.107375

ΔHf, kcal/mol:

105.44

Dipole, Da:

1.81

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R,19R)-1-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-17-(2-chlorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)[C@@H]4[C@H](C3=O)C5(C6=CC=CC=C6C4C7=CC=CC=C75)/C=N\NC8=NC9=CC=CC=C9S8

DOS

IR

Vibrations