Geometry & MOs

Info

ID:	241020
PubChem CID:	93621210
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-17.22
Dipole, Da:	4.83
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations