Geometry & MOs

Info

ID:	133348
PubChem CID:	51512523
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	365.143607
ΔH_f, kcal/mol:	-208.36
Dipole, Da:	6.76
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(3-methylphenyl)-4-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

DOS

IR

Vibrations