Geometry & MOs

Info

ID:

321810

PubChem CID:

126667007

Reduced:

FON3C9H11 (2)

Stoich.:

ABC3D9E11 (2)

Weight, g/mol:

418.156495

ΔHf, kcal/mol:

-117.26

Dipole, Da:

9.4

IP(EA), eV:

 -8.95(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,6-difluorocyclohexa-1,3-dien-1-yl)methyl]-4-[[(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)O)NC2=NC=NC3=NNC(=C32)C(=O)NCC4=C(CCC(C4)F)F

DOS

IR

Vibrations