Geometry & MOs

Info

ID:	68199
PubChem CID:	46507954
Reduced:	ClO3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	4.73
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations