Geometry & MOs

Info

ID:

378490

PubChem CID:

134224575

Reduced:

ClSO4F5N8C40H44 (1)

Stoich.:

ABC4D5E8F40G44 (1)

Weight, g/mol:

507.169366

ΔHf, kcal/mol:

-314.75

Dipole, Da:

7.64

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)C(=NN2)C(=O)N3CCC(CC3CS(=O)(=O)N4CCC5=C(C4)C(=NN5)C(=O)N6CCC(CC6)C7=C(C=C(C=C7)F)C(F)(F)F)C8=C(C(=CC=C8)F)Cl

DOS

IR

Vibrations