Geometry & MOs

Info

ID:

190477

PubChem CID:

78010567

Reduced:

N3O5C34H49 (1)

Stoich.:

A3B5C34D49 (1)

Weight, g/mol:

644.362551

ΔHf, kcal/mol:

-201.06

Dipole, Da:

10.39

IP(EA), eV:

 -8.49(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-2-[3-[2-(hydroxymethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCCN(C)C)C(=O)CN1CC(C(C1CCCC2=CC=CC=C2CO)C(=O)O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations