Geometry & MOs

Info

ID:	164331
PubChem CID:	74382982
Reduced:	NSO3C26H31 (1)
Stoich.:	ABC3D26E31 (1)
Weight, g/mol:	470.184172
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	3.45
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibenzyl-2-oxo-5-(3-phenylprop-2-enoxycarbonyl)imidazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)C2=C(CCC2CCCC3=CC=C(S3)C(=O)O)C#N)O

DOS

IR

Vibrations