Geometry & MOs

Info

ID:	61972
PubChem CID:	26716395
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	406.136257
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	6.96
IP(EA), eV:	-8.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-fluoro-5-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

DOS

IR

Vibrations