Geometry & MOs

Info

ID:

312331

PubChem CID:

126604319

Reduced:

FO2N7H22C26 (1)

Stoich.:

AB2C7D22E26 (1)

Weight, g/mol:

617.296182

ΔHf, kcal/mol:

48.24

Dipole, Da:

8.19

IP(EA), eV:

 -8.89(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-methyl-4-[(3S,4S)-1-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidine-3-carbonyl]-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]piperidin-3-yl]-4-oxo-2-phenylbutanamide

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)N1CCC[C@@H]1CN2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N

DOS

IR

Vibrations