Geometry & MOs

Info

ID:	25509
PubChem CID:	626024
Reduced:	NCl2O2H7C14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	350.972743
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	1.47
IP(EA), eV:	-9.06(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,13-dioxo-6,7,11,12-tetrathia-2-azatricyclo[8.4.0.03,8]tetradecane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Cl)N)Cl

DOS

IR

Vibrations