Geometry & MOs

Info

ID:	321873
PubChem CID:	126667125
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	478.133173
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	0.91
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-2-(2-chloro-5-fluorophenyl)-4-fluoropyrrolidin-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\C=C(/C)\C(=O)OOC(=O)/C(=C/C)/C=C\C=C

DOS

IR

Vibrations