Geometry & MOs

Info

ID:	321732
PubChem CID:	126666905
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	463.157972
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	4.74
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4,4-difluoro-2-(5-fluoropyridin-3-yl)pyrrolidin-1-yl]-[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methanone

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C=C)\[C@]2(COC3=CC=CC=C32)C(=O)N1

DOS

IR

Vibrations