Geometry & MOs

Info

ID:

232708

PubChem CID:

87576769

Reduced:

N8O8H28C31 (1)

Stoich.:

A8B8C28D31 (1)

Weight, g/mol:

465.125295

ΔHf, kcal/mol:

-127.16

Dipole, Da:

10.89

IP(EA), eV:

 -9.23(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[[6-[6-(2,2-dimethylazetidin-1-yl)-5-sulfamoylpyridin-3-yl]pyridazin-3-yl]carbamothioyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)NC(=NC2=O)N3C=C(C=N3)C(=O)OC(=O)C4=CN(N=C4)C5=NC(=O)C6=C(C(=C(C=C6N5)OC)OC)OC

DOS

IR

Vibrations