Geometry & MOs

Info

ID:

378489

PubChem CID:

134224574

Reduced:

OF4N4C23H28 (1)

Stoich.:

AB4C4D23E28 (1)

Weight, g/mol:

862.281492

ΔHf, kcal/mol:

-187.57

Dipole, Da:

4.98

IP(EA), eV:

 -9.14(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2-chloro-3-fluorophenyl)-2-[[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]sulfonylmethyl]piperidin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1CN2CCC3=C(C2)C(=NN3)C(N4CCC(CC4)C5=C(C(=CC=C5)F)C(F)(F)F)O

DOS

IR

Vibrations