Geometry & MOs

Info

ID:	196531
PubChem CID:	78845347
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	388.982577
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	4.63
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfonylphenyl)sulfanyl-5-(trifluoromethyl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N3CCCCC3CCO

DOS

IR

Vibrations