Geometry & MOs

Info

ID:	297738
PubChem CID:	117628331
Reduced:	S2F3O3N5C26H26 (1)
Stoich.:	A2B3C3D5E26F26 (1)
Weight, g/mol:	347.144533
ΔH_f, kcal/mol:	-168.66
Dipole, Da:	4.98
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4,4-difluorocyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)C3=CCN(CC3)S(=O)(=O)C)N(C)C4=NC(=CS4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations