Geometry & MOs

Info

ID:	339043
PubChem CID:	127260054
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	2.35
IP(EA), eV:	-9.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamidopentan-2-yl benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(=C(C=C1)OS(=O)(=O)C3=CC=CC=C3)C(=O)C=C(C2=O)N4CC4

DOS

IR

Vibrations