Geometry & MOs

Info

ID:	321774
PubChem CID:	126666964
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	498.143879
ΔH_f, kcal/mol:	-221.2
Dipole, Da:	5.15
IP(EA), eV:	-8.74(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C[C@H]1NC(=O)OC(C)(C)C)SC

DOS

IR

Vibrations