Geometry & MOs

Info

ID:

160926

PubChem CID:

57390259

Reduced:

SN2O7C24H24 (1)

Stoich.:

AB2C7D24E24 (1)

Weight, g/mol:

316.083937

ΔHf, kcal/mol:

-146.79

Dipole, Da:

11.55

IP(EA), eV:

 -9.5(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-chloro-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations