Geometry & MOs

Info

ID:

376716

PubChem CID:

134222741

Reduced:

NSF2O3C27H33 (1)

Stoich.:

ABC2D3E27F33 (1)

Weight, g/mol:

658.356615

ΔHf, kcal/mol:

-192.95

Dipole, Da:

6.99

IP(EA), eV:

 -8.1(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-(5-tert-butyl-3-methyl-4-phenyl-1,5-dihydropyrazol-2-yl)-5-(6-tert-butyl-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]-2-methylbutan-2-yl]pyrazolo[1,5-a]pyridine-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(S(=O)(=O)C2=CC(=C(C=C12)F)F)CC3=CN4C=CC(=C4C=C3OC)C(C)(C)C

DOS

IR

Vibrations