Geometry & MOs

Info

ID:	227832
PubChem CID:	87562629
Reduced:	AsNO5C6H18 (1)
Stoich.:	ABC5D6E18 (1)
Weight, g/mol:	530.165762
ΔH_f, kcal/mol:	-211.18
Dipole, Da:	7.17
IP(EA), eV:	-9.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[3-(2-acetamido-1,3-benzothiazol-6-yl)phenyl]sulfonylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[As](=O)(C)O.C(C(CO)(CO)N)O

DOS

IR

Vibrations