Geometry & MOs

Info

ID:	360953
PubChem CID:	127301784
Reduced:	FSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	6.53
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC3=C(N2)C=CC(=C3)F

DOS

IR

Vibrations