Geometry & MOs

Info

ID:

221761

PubChem CID:

85286116

Reduced:

N2F3O11H21C28 (1)

Stoich.:

A2B3C11D21E28 (1)

Weight, g/mol:

617.163031

ΔHf, kcal/mol:

-527.38

Dipole, Da:

1.53

IP(EA), eV:

 -9.76(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-[2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(CN1C(=O)C(F)(F)F)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)O)O)NC(=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations