Geometry & MOs

Info

ID:	144343
PubChem CID:	53352719
Reduced:	ClOSN3C24H25 (1)
Stoich.:	ABCD3E24F25 (1)
Weight, g/mol:	438.140686
ΔH_f, kcal/mol:	63.03
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031296
Charge, e:	-1

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3)C.[Cl-]

DOS

IR

Vibrations