Geometry & MOs

Info

ID:	58233
PubChem CID:	24434813
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	408.980316
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	8.58
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations