Geometry & MOs

Info

ID:	326927
PubChem CID:	126688702
Reduced:	NSC4O4H9 (1)
Stoich.:	ABC4D4E9 (1)
Weight, g/mol:	471.145551
ΔH_f, kcal/mol:	-164.83
Dipole, Da:	2.61
IP(EA), eV:	-9.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,6R)-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-1-sulfonamide

Drug info:

PubChemData

Smile

C1COCC1OS(=O)(=O)N

DOS

IR

Vibrations