Geometry & MOs

Info

ID:	227058
PubChem CID:	87559989
Reduced:	PCl2N2S2O5H13C15 (1)
Stoich.:	AB2C2D2E5F13G15 (1)
Weight, g/mol:	359.00184
ΔH_f, kcal/mol:	-189.1
Dipole, Da:	6.25
IP(EA), eV:	-9.14(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,8aS,8bR)-1-ethylidene-5-iodo-2-oxo-5,6,7,8,8a,8b-hexahydroazeto[1,2-b]isoindole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)N(OP(=O)(C)O)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations