Geometry & MOs

Info

ID:

437367

PubChem CID:

135226176

Reduced:

ClFO3N6H24C30 (1)

Stoich.:

ABC3D6E24F30 (1)

Weight, g/mol:

683.05964

ΔHf, kcal/mol:

-13.96

Dipole, Da:

6.42

IP(EA), eV:

 -8.94(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(7-chloro-1H-indol-5-yl)-2-fluorophenyl]-5-iodopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)N3[C@@H](C[C@@H]4C3C4)C(=O)NC5=CC=CC(=C5F)C6=C(C7=C(C=C6)NC=N7)Cl

DOS

IR

Vibrations