Geometry & MOs

Info

ID:	73008
PubChem CID:	48416794
Reduced:	OSF3N5H10C16 (1)
Stoich.:	ABC3D5E10F16 (1)
Weight, g/mol:	374.09498
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	4.34
IP(EA), eV:	-9.23(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations