Geometry & MOs

Info

ID:

304362

PubChem CID:

124558710

Reduced:

N4O5H26C37 (1)

Stoich.:

A4B5C26D37 (1)

Weight, g/mol:

576.161997

ΔHf, kcal/mol:

55.59

Dipole, Da:

1.7

IP(EA), eV:

 -9.09(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,19S)-1-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-17-naphthalen-1-yl-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\NC(=O)CC8=CC=C(C=C8)[N+](=O)[O-]

DOS

IR

Vibrations