Geometry & MOs

Info

ID:

174883

PubChem CID:

75826165

Reduced:

NSO5C8H10 (1)

Stoich.:

ABC5D8E10 (1)

Weight, g/mol:

148.970213

ΔHf, kcal/mol:

-155.77

Dipole, Da:

4.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.156084

Charge, e:

 0

Chem-info

IUPAC name:

2,5-dihydro-1,3-thiazole-2-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C(COS(=O)(=O)[O-])O

DOS

IR

Vibrations