Geometry & MOs

Info

ID:

326285

PubChem CID:

126687276

Reduced:

ClSO2N7C23H32 (1)

Stoich.:

ABC2D7E23F32 (1)

Weight, g/mol:

462.158245

ΔHf, kcal/mol:

-30.95

Dipole, Da:

4.53

IP(EA), eV:

 -8.18(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-ylmethyl (3R)-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

CCC1=CN=C(N=C1N[C@@]2(CCN(C2)S(=O)(=O)CC3CCCC3)N)C4=CNC5C4=CC(=CN5)Cl

DOS

IR

Vibrations