Geometry & MOs

Info

ID:	226242
PubChem CID:	87350213
Reduced:	NSO5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	525.24277
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	0.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905796
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-N-[3-methoxy-4-(2-methylpyridin-4-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=[N+](C(=CC=C1)C(=O)C)CCOS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations