Geometry & MOs

Info

ID:	58234
PubChem CID:	24434823
Reduced:	SCl2O3N5H9C15 (1)
Stoich.:	AB2C3D5E9F15 (1)
Weight, g/mol:	442.030099
ΔH_f, kcal/mol:	93.38
Dipole, Da:	11.32
IP(EA), eV:	-9.45(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=NNC(=S)N2N/C=C/3\C=CC(=O)C(=C3)[N+](=O)[O-]

DOS

IR

Vibrations