Geometry & MOs

Info

ID:

449288

PubChem CID:

135297420

Reduced:

F2O3N5C26H29 (1)

Stoich.:

A2B3C5D26E29 (1)

Weight, g/mol:

540.291197

ΔHf, kcal/mol:

-137.38

Dipole, Da:

7.81

IP(EA), eV:

 -9.96(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2S)-2-[4-butan-2-yl-6-(2,6-difluorophenyl)pyridazin-3-yl]-4,4-dimethylpentan-2-yl]-N-(1,3-dihydroxypropan-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC[C@](C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(CC)C4=NC(=CN=C4)C(=O)NC(CO)CO

DOS

IR

Vibrations