Geometry & MOs

Info

ID:	86104
PubChem CID:	49881859
Reduced:	FOS2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	440.134068
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	4.18
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)F)CSC3=CC=CC=C3

DOS

IR

Vibrations