Geometry & MOs

Info

ID:

166499

PubChem CID:

74701034

Reduced:

NO5H18C23 (1)

Stoich.:

AB5C18D23 (1)

Weight, g/mol:

269.015151

ΔHf, kcal/mol:

-61.87

Dipole, Da:

6.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769442

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations