Geometry & MOs

Info

ID:

326284

PubChem CID:

126687275

Reduced:

FNO4C24H26 (1)

Stoich.:

ABC4D24E26 (1)

Weight, g/mol:

505.202672

ΔHf, kcal/mol:

-158.28

Dipole, Da:

2.57

IP(EA), eV:

 -9.3(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-N'-[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylpyrimidin-4-yl]-1-(cyclopentylmethylsulfonyl)pyrrolidine-3,3-diamine

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CC(=O)C4=CC(=C(C=C4)OCC=O)F

DOS

IR

Vibrations