Geometry & MOs

Info

ID:	407040
PubChem CID:	135079204
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	466.06411
ΔH_f, kcal/mol:	71.12
Dipole, Da:	3.74
IP(EA), eV:	-8.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-cyclopropylideneethyl)-2-[3-(2-iodophenyl)prop-2-ynyl]propanedioate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1OOSC3=CC=CC=C3

DOS

IR

Vibrations