Geometry & MOs

Info

ID:	395674
PubChem CID:	135026234
Reduced:	OH14C22 (2)
Stoich.:	AB14C22 (2)
Weight, g/mol:	496.203193
ΔH_f, kcal/mol:	114.38
Dipole, Da:	0.93
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[5-(acetylsulfanylmethyl)-1,3-dibenzyl-2-oxoimidazolidin-4-yl]-6-oxohexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3C=C(C=C5)C(=O)/C=C/C(=O)C6=CC7=C(C=C6)C8C9=CC=CC=C9C7C1=CC=CC=C81

DOS

IR

Vibrations