Geometry & MOs

Info

ID:	169090
PubChem CID:	75062348
Reduced:	ClN4O4H27C28 (1)
Stoich.:	AB4C4D27E28 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(4-oxo-2-sulfanylideneimidazolidin-1-yl)-2-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CC2C(CC1Cl)C(=O)C(=CO2)C=NNC(=O)COC3=CC=CC=C3C4=CC=NN4C5=CC=CC=C5

DOS

IR

Vibrations