Geometry & MOs

Info

ID:	59468
PubChem CID:	24875009
Reduced:	FO2N11H20C23 (1)
Stoich.:	AB2C11D20E23 (1)
Weight, g/mol:	501.228851
ΔH_f, kcal/mol:	118.85
Dipole, Da:	5.62
IP(EA), eV:	-9.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(1S,2S)-2-phenylcyclohexyl]piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C2C(=CN=C3N4C=CN=N4)F)C5=NN=NN5C6=CC=CC=C6

DOS

IR

Vibrations