Geometry & MOs

Info

ID:	137667
PubChem CID:	52242780
Reduced:	ClSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	397.223966
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	1.56
IP(EA), eV:	-8.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-[[6-[(2R)-2-methylmorpholin-4-yl]pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C2=NC=C(C=C2)CNC(=O)CCC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations