Geometry & MOs

Info

ID:	59489
PubChem CID:	24875112
Reduced:	FO4N8H19C22 (1)
Stoich.:	AB4C8D19E22 (1)
Weight, g/mol:	503.12882
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	7.15
IP(EA), eV:	-9.68(-1.71)
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-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C2=C1NC=C2C(=O)C(=O)N3CCN(CC3)C4=NN=NN4C5=CC=CC=C5)F

DOS

IR

Vibrations