Geometry & MOs

Info

ID:

444797

PubChem CID:

135263556

Reduced:

Cl2N3O4H17C19 (2)

Stoich.:

A2B3C4D17E19 (2)

Weight, g/mol:

484.178041

ΔHf, kcal/mol:

-188.94

Dipole, Da:

7.96

IP(EA), eV:

 -9.35(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-4-hydroxy-3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl.COCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O.C1=CC(=NC(=C1Cl)C(=O)O)Cl

DOS

IR

Vibrations