Geometry & MOs

Info

ID:	56647
PubChem CID:	17504460
Reduced:	OSN2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	343.062677
ΔH_f, kcal/mol:	-0.6
Dipole, Da:	6.31
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C)C4CCS(=O)(=O)C4

DOS

IR

Vibrations