Geometry & MOs

Info

ID:	31148
PubChem CID:	854796
Reduced:	NSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	7.28
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)O)SC1=C(C=CC=N1)C(=O)O

DOS

IR

Vibrations