Geometry & MOs

Info

ID:	312986
PubChem CID:	126610609
Reduced:	FOSN3H10C11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	281.063426
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	6.63
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)F

DOS

IR

Vibrations