Geometry & MOs

Info

ID:

234173

PubChem CID:

92297863

Reduced:

O5N8C27H28 (1)

Stoich.:

A5B8C27D28 (1)

Weight, g/mol:

483.00203

ΔHf, kcal/mol:

9.72

Dipole, Da:

9.96

IP(EA), eV:

 -8.89(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,7S,13S,17S)-10-bromo-2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)[C@@H](C3=CC4=CC5=C(C=C4NC3=O)OCO5)N6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]

DOS

IR

Vibrations