Geometry & MOs

Info

ID:	185593
PubChem CID:	77318275
Reduced:	ClON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	517.180205
ΔH_f, kcal/mol:	-4.75
Dipole, Da:	3.71
IP(EA), eV:	-8.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5,5-dioxo-8,9,10,10a-tetrahydro-7H-pyrido[1,2-b][1,2]benzothiazol-7-yl)methyl 3-[benzyl(methyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)Cl)CC3CCCN(C3C4=CC=CC=C4)N

DOS

IR

Vibrations