Geometry & MOs

Info

ID:	159246
PubChem CID:	57268340
Reduced:	S2N3O6H9C12 (1)
Stoich.:	A2B3C6D9E12 (1)
Weight, g/mol:	308.202131
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	4.65
IP(EA), eV:	-10.0(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-ethyl-2-methyldodecan-4-yl) hydrogen sulfate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C(=C1)C3=NNN=C3

DOS

IR

Vibrations