Geometry & MOs

Info

ID:

223768

PubChem CID:

85335546

Reduced:

OF4N4C30H34 (1)

Stoich.:

AB4C4D30E34 (1)

Weight, g/mol:

542.306412

ΔHf, kcal/mol:

-179.52

Dipole, Da:

7.5

IP(EA), eV:

 -8.96(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[4-amino-2-[(2-amino-3-methylpentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCCN(C2CCC3(C2C3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

DOS

IR

Vibrations