Geometry & MOs

Info

ID:	77532
PubChem CID:	49650001
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	5.81
IP(EA), eV:	-9.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations