Geometry & MOs

Info

ID:

234527

PubChem CID:

92298615

Reduced:

O4N7C29H29 (1)

Stoich.:

A4B7C29D29 (1)

Weight, g/mol:

523.9558

ΔHf, kcal/mol:

8.9

Dipole, Da:

7.52

IP(EA), eV:

 -9.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R,19R)-1,8-dibromo-17-(pyridin-3-ylmethyl)-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

C1CCC(CC1)NC(=O)[C@@H](C2=CC=CC=N2)N(C3=CC4=C(C=C3)OCO4)C(=O)CN5N=C(N=N5)C6=CC=CC=C6

DOS

IR

Vibrations