Geometry & MOs

Info

ID:	64964
PubChem CID:	29204261
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	5.78
IP(EA), eV:	-9.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CN=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations