Geometry & MOs

Info

ID:	361795
PubChem CID:	127304642
Reduced:	FSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	7.32
IP(EA), eV:	-9.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC(=CC3=NC=CN=C23)F

DOS

IR

Vibrations