Geometry & MOs

Info

ID:

49529

PubChem CID:

11533190

Reduced:

O3F4N4H18C24 (1)

Stoich.:

A3B4C4D18E24 (1)

Weight, g/mol:

486.243812

ΔHf, kcal/mol:

-241.67

Dipole, Da:

6.15

IP(EA), eV:

 -8.68(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=C(N2)C(=O)N)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

DOS

IR

Vibrations