Geometry & MOs

Info

ID:

234529

PubChem CID:

92298619

Reduced:

BrNOH8C12 (2)

Stoich.:

ABCD8E12 (2)

Weight, g/mol:

523.9558

ΔHf, kcal/mol:

13.5

Dipole, Da:

4.08

IP(EA), eV:

 -9.97(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,19S)-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

C1=CC=C2C(=C1)C3([C@@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)CC6=CN=CC=C6)Br

DOS

IR

Vibrations