Geometry & MOs

Info

ID:

188391

PubChem CID:

77708428

Reduced:

N4O5C11H24 (2)

Stoich.:

A4B5C11D24 (2)

Weight, g/mol:

531.254478

ΔHf, kcal/mol:

-523.31

Dipole, Da:

3.97

IP(EA), eV:

 -9.54(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-4,4-difluoro-1-[2-hydroxy-3-[(3-hydroxy-2,5-dimethylbenzoyl)amino]-2-phenylbutanoyl]-3,3-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N.CC(C(=O)O)N.CC(C(=O)O)N.C1CC(NC1)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations