Geometry & MOs

Info

ID:	157023
PubChem CID:	56412815
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	488.245727
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	3.36
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations