Geometry & MOs

Info

ID:

326291

PubChem CID:

126687286

Reduced:

ClFON8C19H24 (1)

Stoich.:

ABCD8E19F24 (1)

Weight, g/mol:

462.158245

ΔHf, kcal/mol:

-0.01

Dipole, Da:

10.87

IP(EA), eV:

 -7.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-ylmethyl (3S)-3-[[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)N[C@H]1CCCC[C@@H]1NC2=NC(=NC=C2F)C3=CN(C4C3=CC(=CN4)Cl)N

DOS

IR

Vibrations