Geometry & MOs

Info

ID:	306317
PubChem CID:	125003718
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	417.201219
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	6.95
IP(EA), eV:	-9.23(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[6-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]amino]pyridin-2-yl]morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)[C@@H]2CCCN(C2)CC3=CN=CN3

DOS

IR

Vibrations