Geometry & MOs

Info

ID:	157659
PubChem CID:	56436345
Reduced:	ClSN3O5C20H30 (1)
Stoich.:	ABC3D5E20F30 (1)
Weight, g/mol:	424.166808
ΔH_f, kcal/mol:	-218.67
Dipole, Da:	7.04
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-(1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)Cl

DOS

IR

Vibrations