Geometry & MOs

Info

ID:	339054
PubChem CID:	127260065
Reduced:	ClSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	383.082744
ΔH_f, kcal/mol:	-207.79
Dipole, Da:	2.04
IP(EA), eV:	-10.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(aziridin-1-yl)-4-ethyl-5,8-dioxonaphthalen-1-yl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1(C(C(C(=O)O1)COS(=O)(=O)C2=CC=CC=C2)Cl)C

DOS

IR

Vibrations