Geometry & MOs

Info

ID:	174857
PubChem CID:	75823139
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-135.97
Dipole, Da:	4.51
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CS(=O)(=O)CC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations