Geometry & MOs

Info

ID:	381447
PubChem CID:	134972187
Reduced:	O6H16C21 (1)
Stoich.:	A6B16C21 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	-139.35
Dipole, Da:	3.0
IP(EA), eV:	-8.86(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4)(C#C)O)C(=C3C2=O)O)O

DOS

IR

Vibrations