Geometry & MOs

Info

ID:

441841

PubChem CID:

135245747

Reduced:

O2F3N3C15H20 (1)

Stoich.:

A2B3C3D15E20 (1)

Weight, g/mol:

590.205337

ΔHf, kcal/mol:

-200.05

Dipole, Da:

2.82

IP(EA), eV:

 -9.48(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[2-[6-[2-(2,4-difluorocyclohexa-1,3-dien-1-yl)-1,1-difluoro-2-hydroxy-3-(tetrazol-2-yl)propyl]pyridin-3-yl]ethynyl]cyclohexa-1,5-dien-1-yl]oxymethyl]cyclohexa-1,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)OCC2CC[C@@H]2C(=O)N3CCCC3

DOS

IR

Vibrations