Geometry & MOs

Info

ID:	130682
PubChem CID:	51092016
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	346.092204
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	3.26
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations