Geometry & MOs

Info

ID:

128302

PubChem CID:

51038267

Reduced:

OF3N6H19C27 (1)

Stoich.:

AB3C6D19E27 (1)

Weight, g/mol:

550.279135

ΔHf, kcal/mol:

0.92

Dipole, Da:

6.12

IP(EA), eV:

 -9.16(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[(2R)-2-hydroxybutanoyl]-N-[4-[4-[[(3S)-1-[(2S)-2-hydroxybutanoyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)C#CC4=CN5C(=CC=N5)N=C4

DOS

IR

Vibrations