Geometry & MOs

Info

ID:

309025

PubChem CID:

126534909

Reduced:

FON7H24C29 (1)

Stoich.:

ABC7D24E29 (1)

Weight, g/mol:

511.140214

ΔHf, kcal/mol:

129.86

Dipole, Da:

9.82

IP(EA), eV:

 -8.62(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methyl-5-[3-[1-(2,4,6-trifluorophenyl)pyrrolo[3,4-b]pyrrol-5-yl]propylsulfanyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations