Geometry & MOs

Info

ID:	191789
PubChem CID:	78187903
Reduced:	OF2N2H36C41 (1)
Stoich.:	AB2C2D36E41 (1)
Weight, g/mol:	590.278072
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	3.01
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[(3-methoxycarbonylphenyl)methyl]-2-oxo-4,5-bis(2-phenylethyl)imidazolidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C=C1N3C(C(N(C3=O)C4=CC5=CC=CC=C5C=C4C)C(CC6=CC=CC=C6)F)C(CC7=CC=CC=C7)F

DOS

IR

Vibrations