Geometry & MOs

Info

ID:

15589

PubChem CID:

445048

Reduced:

N6O9C31H44 (1)

Stoich.:

A6B9C31D44 (1)

Weight, g/mol:

644.316977

ΔHf, kcal/mol:

-391.35

Dipole, Da:

2.47

IP(EA), eV:

 -9.55(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)N)O

DOS

IR

Vibrations