Geometry & MOs

Info

ID:

448272

PubChem CID:

135289811

Reduced:

N2O21C63H114 (1)

Stoich.:

A2B21C63D114 (1)

Weight, g/mol:

316.013887

ΔHf, kcal/mol:

-1088.38

Dipole, Da:

8.44

IP(EA), eV:

 -9.49(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-chloro-5-fluoropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/C(C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O

DOS

IR

Vibrations