Geometry & MOs

Info

ID:

133288

PubChem CID:

51504386

Reduced:

FSN4O4H18C24 (1)

Stoich.:

ABC4D4E18F24 (1)

Weight, g/mol:

322.095844

ΔHf, kcal/mol:

29.17

Dipole, Da:

24.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.959222

Charge, e:

 -1

Chem-info

IUPAC name:

2-[2-(4-chlorocyclohexyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)F)[O-])C)[N+](=O)[O-]

DOS

IR

Vibrations