Geometry & MOs

Info

ID:	182033
PubChem CID:	76831349
Reduced:	ClS2N3O4C19H22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	6.24
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-yl]-2-(1-ethyl-5-phenyl-1,2,4-triazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)CC2=NC3=C(S2)C=CC=C3Cl)C(=O)N4CCS(=O)(=O)CC4

DOS

IR

Vibrations