Geometry & MOs

Info

ID:	305693
PubChem CID:	124965736
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	4.73
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCN([C@H](C2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations