Geometry & MOs

Info

ID:

180861

PubChem CID:

76695842

Reduced:

ClFN3O4H25C28 (1)

Stoich.:

ABC3D4E25F28 (1)

Weight, g/mol:

517.123833

ΔHf, kcal/mol:

-137.05

Dipole, Da:

4.83

IP(EA), eV:

 -9.55(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[(6-chloropyridin-3-yl)methyl]thiophen-2-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C(C(=O)NCC2=CC=C(C=C2)C3=C(C=C(C=C3)F)C#N)O)O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations