Geometry & MOs

Info

ID:	331964
PubChem CID:	127250250
Reduced:	FSO2N5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	1.53
IP(EA), eV:	-9.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=NN=C(S2)N)C3=NC=C(C=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations