Geometry & MOs

Info

ID:	333016
PubChem CID:	127251440
Reduced:	ClSN3O3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	2.05
IP(EA), eV:	-9.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCOC(C1)C2=NC(=CC(=C2)CC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations