Geometry & MOs

Info

ID:

179842

PubChem CID:

76541118

Reduced:

ClNO4H17C22 (1)

Stoich.:

ABC4D17E22 (1)

Weight, g/mol:

149.006598

ΔHf, kcal/mol:

-83.04

Dipole, Da:

4.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.200407

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-1,3-thiazol-3-ium;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)Cl)O)CC4=CC=[NH+]C=C4

DOS

IR

Vibrations