Geometry & MOs

Info

ID:	26192
PubChem CID:	640689
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	293.918817
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	3.54
IP(EA), eV:	-9.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2,2,2-trichloroacetamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=CC=CC=C2C1=O

DOS

IR

Vibrations