Geometry & MOs

Info

ID:	326923
PubChem CID:	126688688
Reduced:	ClO2N10C19H19 (1)
Stoich.:	AB2C10D19E19 (1)
Weight, g/mol:	352.105066
ΔH_f, kcal/mol:	88.51
Dipole, Da:	7.46
IP(EA), eV:	-8.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,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-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NC5=NN=C(C=C5)C#N)Cl

DOS

IR

Vibrations