Geometry & MOs

Info

ID:

436054

PubChem CID:

135193583

Reduced:

FN2O2C17H21 (2)

Stoich.:

AB2C2D17E21 (2)

Weight, g/mol:

608.281027

ΔHf, kcal/mol:

-230.3

Dipole, Da:

8.25

IP(EA), eV:

 -9.06(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)C(=O)NCC(=O)N(CCCN)C(C1CCCCC1)C2=CC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations