Geometry & MOs

Info

ID:	7845
PubChem CID:	74332
Reduced:	NSO4C22H33 (1)
Stoich.:	ABC4D22E33 (1)
Weight, g/mol:	407.21303
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	3.6
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl (5-methylquinolin-8-yl) sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOS(=O)(=O)OC1=C2C(=C(C=C1)C)C=CC=N2

DOS

IR

Vibrations