Geometry & MOs

Info

ID:	30073
PubChem CID:	839462
Reduced:	SCl2N2O2H8C11 (1)
Stoich.:	AB2C2D2E8F11 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	2.02
IP(EA), eV:	-9.61(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-methylphenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations