Geometry & MOs

Info

ID:	429620
PubChem CID:	135169669
Reduced:	SO3N7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	469.158641
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	5.76
IP(EA), eV:	-8.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(1,5-dihydrotriazol-2-yl)-2,5-dimethylpyridin-3-yl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC2=NC=CC(=N2)COC3=CC(=C4C(=C3)SC(=N4)NC5CCCC[C@@H]5O)OC

DOS

IR

Vibrations