Geometry & MOs

Info

ID:	426854
PubChem CID:	135154175
Reduced:	ISN3O5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	499.133255
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	4.7
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-chlorophenyl)morpholin-4-yl]-N-[(4-ethylsulfonylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)I)COS(=O)(=O)C

DOS

IR

Vibrations