Geometry & MOs

Info

ID:	26115
PubChem CID:	638994
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	379.088515
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	5.56
IP(EA), eV:	-8.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)-methylhydrazinylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]2[C@H]1CC3=C(C2)C4=CC=CC=C4N3

DOS

IR

Vibrations