Geometry & MOs

Info

ID:

327455

PubChem CID:

126689958

Reduced:

O5C23H30 (1)

Stoich.:

A5B23C30 (1)

Weight, g/mol:

413.227434

ΔHf, kcal/mol:

-212.13

Dipole, Da:

7.81

IP(EA), eV:

 -9.61(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)O[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C/[C@H](CCC4=CC=CC=C4)O)CC(=O)O3

DOS

IR

Vibrations