Geometry & MOs

Info

ID:

322864

PubChem CID:

126671486

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-129.43

Dipole, Da:

5.41

IP(EA), eV:

 -9.02(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(N=CO2)C)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)C)N4C=C(C=N4)C(C)(C)C)O

DOS

IR

Vibrations