Geometry & MOs

Info

ID:	314618
PubChem CID:	126622460
Reduced:	ON2C35H38 (1)
Stoich.:	AB2C35D38 (1)
Weight, g/mol:	395.038292
ΔH_f, kcal/mol:	38.03
Dipole, Da:	3.53
IP(EA), eV:	-8.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]-2-hydroxy-1-phenylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations