Geometry & MOs

Info

ID:	429991
PubChem CID:	135170048
Reduced:	FSO2N3C25H26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	467.143426
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	6.14
IP(EA), eV:	-8.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCOCC3C4=CC=C(C=C4)F

DOS

IR

Vibrations