Geometry & MOs

Info

ID:	159163
PubChem CID:	57264277
Reduced:	ClO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	408.09126
ΔH_f, kcal/mol:	22.64
Dipole, Da:	1.56
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,7-dimethoxy-2-(2-methylsulfonyloxyethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonic acid

Drug info:

PubChemData

Smile

CN=C(C[N+](=O)[O-])NCCCC1=CN=C(C=C1)Cl

DOS

IR

Vibrations