Geometry & MOs

Info

ID:	312985
PubChem CID:	126610607
Reduced:	OSF2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	251.052861
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	4.5
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(3-fluorophenyl)-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)F)F

DOS

IR

Vibrations