Geometry & MOs

Info

ID:	305788
PubChem CID:	124969182
Reduced:	SF2O3N5H17C18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	1.42
IP(EA), eV:	-9.95(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=NN=C(O2)[C@H]3CCCCN3S(=O)(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations