Geometry & MOs

Info

ID:	146823
PubChem CID:	53755649
Reduced:	SCl2O3N6C24H34 (1)
Stoich.:	AB2C3D6E24F34 (1)
Weight, g/mol:	569.199417
ΔH_f, kcal/mol:	-32.71
Dipole, Da:	11.06
IP(EA), eV:	-8.93(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-4-[[3-(3-dodecylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]imino]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=O)(=O)NCC1=NN=C2N1NC(=C2N=C3C=C(C(=O)C(=C3)Cl)Cl)C

DOS

IR

Vibrations