Geometry & MOs

Info

ID:	144342
PubChem CID:	53352556
Reduced:	ClN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	438.140686
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.169078
Charge, e:	-1

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3.[Cl-]

DOS

IR

Vibrations