Geometry & MOs

Info

ID:

43905

PubChem CID:

10321961

Reduced:

NF3O3C26H28 (1)

Stoich.:

AB3C3D26E28 (1)

Weight, g/mol:

459.154052

ΔHf, kcal/mol:

-220.41

Dipole, Da:

4.73

IP(EA), eV:

 -9.24(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-1-[[5-[2-(2H-tetrazol-5-yl)ethyl]thiophen-2-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C(F)(F)F)O)C5=CC=C(C=C5)/C=N/O

DOS

IR

Vibrations