Geometry & MOs

Info

ID:

312044

PubChem CID:

126602144

Reduced:

ClN3O5C21H26 (1)

Stoich.:

AB3C5D21E26 (1)

Weight, g/mol:

596.27809

ΔHf, kcal/mol:

-189.73

Dipole, Da:

3.31

IP(EA), eV:

 -9.3(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CN=CO1)C(=O)[C@@]2(C[C@H](CN2)O)C(=O)NCC3=C(C=C(C=C3)Cl)O

DOS

IR

Vibrations