Geometry & MOs

Info

ID:

14786

PubChem CID:

420768

Reduced:

NOSC11H12 (1)

Stoich.:

ABCD11E12 (1)

Weight, g/mol:

206.06396

ΔHf, kcal/mol:

2.79

Dipole, Da:

3.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763437

Charge, e:

 1

Chem-info

IUPAC name:

1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C[N+]2=CSC=C2)O

DOS

IR

Vibrations