Geometry & MOs

Info

ID:	176532
PubChem CID:	76063140
Reduced:	S3N5O12C24H27 (1)
Stoich.:	A3B5C12D24E27 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-443.57
Dipole, Da:	8.36
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-hydroxy-2,2-dimethyl-6-[(3-methylphenyl)methylidene]cyclohexyl]methyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CC(N(C4=O)S(=O)(=O)C)S(=O)(=O)C)SC1)C(=O)O

DOS

IR

Vibrations