Geometry & MOs

Info

ID:	208000
PubChem CID:	80478964
Reduced:	BrN2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	236.007805
ΔH_f, kcal/mol:	26.14
Dipole, Da:	3.94
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-thiazol-5-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NCC2=C(C=CS2)Br

DOS

IR

Vibrations