Geometry & MOs

Info

ID:

59509

PubChem CID:

24875204

Reduced:

FO2N7H24C30 (1)

Stoich.:

AB2C7D24E30 (1)

Weight, g/mol:

535.188049

ΔHf, kcal/mol:

62.39

Dipole, Da:

4.6

IP(EA), eV:

 -8.49(-1.56)

Spin(Sz, 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-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)C(=O)C5=CNC6=C5C(=CN=C6N7C=CN=N7)F

DOS

IR

Vibrations