Geometry & MOs

Info

ID:	26471
PubChem CID:	649541
Reduced:	SO4N5C13H15 (1)
Stoich.:	AB4C5D13E15 (1)
Weight, g/mol:	353.096476
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	4.36
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=NN(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations