Geometry & MOs

Info

ID:

434511

PubChem CID:

135175106

Reduced:

ClN3O9C27H34 (1)

Stoich.:

AB3C9D27E34 (1)

Weight, g/mol:

516.240641

ΔHf, kcal/mol:

-297.12

Dipole, Da:

4.87

IP(EA), eV:

 -8.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]-1-[(2R)-2-(4-methylpentanoylamino)-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Cl)OCCOCCOCCOCCOCCOCC(=O)O

DOS

IR

Vibrations