Geometry & MOs

Info

ID:

167968

PubChem CID:

74907266

Reduced:

N3O4C21H21 (1)

Stoich.:

A3B4C21D21 (1)

Weight, g/mol:

478.167477

ΔHf, kcal/mol:

-46.66

Dipole, Da:

5.81

IP(EA), eV:

 -8.73(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

1,4-dimethyl-6-[(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)sulfonyl]quinoxaline-1,4-diium-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations