Geometry & MOs

Info

ID:	326916
PubChem CID:	126688659
Reduced:	Cl2N3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	421.12653
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	3.43
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[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-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1[C@H](C2C(O1)[C@H](CO2)O)NC3=NC(=NC=C3Cl)Cl

DOS

IR

Vibrations