Geometry & MOs

Info

ID:

14700

PubChem CID:

418163

Reduced:

NSH10C13 (1)

Stoich.:

ABC10D13 (1)

Weight, g/mol:

212.053395

ΔHf, kcal/mol:

76.09

Dipole, Da:

2.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.114579

Charge, e:

 1

Chem-info

IUPAC name:

3-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC3=CC=CC=[N+]32

DOS

IR

Vibrations