Geometry & MOs

Info

ID:	312981
PubChem CID:	126610600
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	281.063426
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	3.45
IP(EA), eV:	-8.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/NNC(=N2)SCC(=O)C)/C(=O)C=C1

DOS

IR

Vibrations