Geometry & MOs

Info

ID:	312989
PubChem CID:	126610624
Reduced:	SN3O4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	295.044919
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	9.01
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(3-methylsulfinylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=C(C=C2)OC(=O)C)OC

DOS

IR

Vibrations