Geometry & MOs

Info

ID:	429990
PubChem CID:	135170047
Reduced:	NSC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	451.172976
ΔH_f, kcal/mol:	38.9
Dipole, Da:	3.0
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylsulfanylphenyl)methyl]-6-[3-(4-fluorophenyl)morpholin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)C=N

DOS

IR

Vibrations