Geometry & MOs

Info

ID:	392437
PubChem CID:	135016234
Reduced:	PSO2H19C22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	514.03493
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	3.6
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (13S,16R)-4-iodo-11,15-dioxo-1,10,12,14-tetrazatetracyclo[8.5.1.03,8.013,16]hexadeca-3(8),4,6-triene-13,16-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(/C=C/CSC2=CC=CC=C2C=O)C3=CC=CC=C3

DOS

IR

Vibrations