Geometry & MOs

Info

ID:	123350
PubChem CID:	50843743
Reduced:	FSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	425.120941
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	2.48
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(3-fluoro-4-methoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=NC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations