Geometry & MOs

Info

ID:	339016
PubChem CID:	127260027
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	298.160266
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	5.68
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylnonyl benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)NOS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations