Geometry & MOs

Info

ID:

83118

PubChem CID:

49857168

Reduced:

NO10C42H67 (1)

Stoich.:

AB10C42D67 (1)

Weight, g/mol:

441.227709

ΔHf, kcal/mol:

-469.82

Dipole, Da:

7.23

IP(EA), eV:

 -9.03(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C

DOS

IR

Vibrations