Geometry & MOs

Info

ID:	321841
PubChem CID:	126667064
Reduced:	F2O2S2N3H19C20 (1)
Stoich.:	A2B2C2D3E19F20 (1)
Weight, g/mol:	480.153301
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	6.51
IP(EA), eV:	-8.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-4-fluoro-2-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]-[4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(F)F)C2=CSC(=N2)NC(=O)C3CC(C3)OCC4=CC=CC=C4

DOS

IR

Vibrations