Geometry & MOs

Info

ID:

310502

PubChem CID:

126580947

Reduced:

O3N4C22H27 (2)

Stoich.:

A3B4C22D27 (2)

Weight, g/mol:

456.038307

ΔHf, kcal/mol:

-200.57

Dipole, Da:

7.33

IP(EA), eV:

 -8.52(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(4-chloropyrazol-1-yl)-3-ethylsulfonylpyridin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)CNC(=O)OC)C2=NC=C(N2)C3=C4C5CCC(C5)C4=C(C=C3)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CC[C@@H](N8C(=O)C(C(C)C)NC(=O)OC)C

DOS

IR

Vibrations