Geometry & MOs

Info

ID:	326994
PubChem CID:	126688812
Reduced:	NNaSO3C5H8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	525.117286
ΔH_f, kcal/mol:	-156.41
Dipole, Da:	7.97
IP(EA), eV:	-10.24(0.32)
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]-1,3,3-trifluoro-2-methylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(CS(=O)(=O)[O-])C#N.[Na+]

DOS

IR

Vibrations