Geometry & MOs

Info

ID:

424497

PubChem CID:

135122909

Reduced:

SN5O8C39H41 (1)

Stoich.:

AB5C8D39E41 (1)

Weight, g/mol:

394.15918

ΔHf, kcal/mol:

-188.49

Dipole, Da:

13.14

IP(EA), eV:

 -9.61(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-3-hydroxy-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)OC)OCC4=CN(N=N4)CC5=CC(=CC=C5)C6=CC(=NC=C6)C(=O)O)C

DOS

IR

Vibrations