Geometry & MOs

Info

ID:	326997
PubChem CID:	126688816
Reduced:	FSO3C5H9 (1)
Stoich.:	ABC3D5E9 (1)
Weight, g/mol:	471.145551
ΔH_f, kcal/mol:	-181.79
Dipole, Da:	3.68
IP(EA), eV:	-11.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methylpropane-2-sulfonamide

Drug info:

PubChemData

Smile

C1C(CC1F)CS(=O)(=O)O

DOS

IR

Vibrations