Geometry & MOs

Info

ID:

85572

PubChem CID:

49877043

Reduced:

ClNO3C18H19 (1)

Stoich.:

ABC3D18E19 (1)

Weight, g/mol:

182.004252

ΔHf, kcal/mol:

-19.97

Dipole, Da:

2.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750027

Charge, e:

 -1

Chem-info

IUPAC name:

methyl 1,3-thiazolidine-4-carboxylate;chloride

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1CNC2=CC3=C(C=C2)OCCO3.[Cl-]

DOS

IR

Vibrations