Geometry & MOs

Info

ID:	326922
PubChem CID:	126688685
Reduced:	SF2N2C4H8 (1)
Stoich.:	AB2C2D4E8 (1)
Weight, g/mol:	454.138098
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	3.26
IP(EA), eV:	-9.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CSC(=N)N)(F)F

DOS

IR

Vibrations