Geometry & MOs

Info

ID:	360923
PubChem CID:	127301744
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	344.176979
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	3.49
IP(EA), eV:	-10.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,1-dioxo-1,4-thiazepane-4-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=NC3=CC=CC=C3N=C2

DOS

IR

Vibrations