Geometry & MOs

Info

ID:

441842

PubChem CID:

135245788

Reduced:

O2F4N6H26C31 (1)

Stoich.:

A2B4C6D26E31 (1)

Weight, g/mol:

558.180265

ΔHf, kcal/mol:

-27.19

Dipole, Da:

2.33

IP(EA), eV:

 -9.23(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-5-[3-[6-[[2-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-3-(tetrazol-1-yl)oxiran-2-yl]-difluoromethyl]pyridin-3-yl]prop-2-ynoxy]-6-fluoro-2-methylhepta-2,6-dienenitrile

Drug info:

PubChemData

Smile

C1CC(=C(C=C1F)F)C(CN2N=CN=N2)(C(C3=NC=C(C=C3)C#CC4CC=C(C=C4)OCC5CC=C(C=C5)C#N)(F)F)O

DOS

IR

Vibrations