Geometry & MOs

Info

ID:

190117

PubChem CID:

77956889

Reduced:

F2N3O3C24H27 (1)

Stoich.:

A2B3C3D24E27 (1)

Weight, g/mol:

484.223432

ΔHf, kcal/mol:

-183.13

Dipole, Da:

4.44

IP(EA), eV:

 -9.0(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-(2-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCNC=CC(=O)N)C(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)O

DOS

IR

Vibrations