Geometry & MOs

Info

ID:	227216
PubChem CID:	87560649
Reduced:	SN2O4C17H32 (1)
Stoich.:	AB2C4D17E32 (1)
Weight, g/mol:	537.348795
ΔH_f, kcal/mol:	-239.91
Dipole, Da:	1.49
IP(EA), eV:	-8.8(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dihydroisoquinolin-3-yl)-3-(2-hexyldodecoxy)propan-2-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCC(=O)NC(C(C)C)C(=O)NC(CSC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations