Geometry & MOs

Info

ID:

322953

PubChem CID:

126671639

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-99.07

Dipole, Da:

4.39

IP(EA), eV:

 -9.19(-0.4)

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-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC=C1C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)C)N4C=C(C=N4)C(C)(C)C)O

DOS

IR

Vibrations