Geometry & MOs

Info

ID:	426753
PubChem CID:	135153700
Reduced:	OSF2N4H6C11 (1)
Stoich.:	ABC2D4E6F11 (1)
Weight, g/mol:	499.133255
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	5.19
IP(EA), eV:	-9.84(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations