Geometry & MOs

Info

ID:	31368
PubChem CID:	855628
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	2.88
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations