Geometry & MOs

Info

ID:	231813
PubChem CID:	87574708
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	478.914605
ΔH_f, kcal/mol:	-169.96
Dipole, Da:	2.98
IP(EA), eV:	-9.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN(C[C@H]1OS(=O)(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations