Geometry & MOs

Info

ID:	59508
PubChem CID:	24875191
Reduced:	SN2O4H24C28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	533.197551
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	0.91
IP(EA), eV:	-8.8(-0.4)
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-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=C(C=C5)OS(=O)(=O)C

DOS

IR

Vibrations