Geometry & MOs

Info

ID:	221946
PubChem CID:	85292930
Reduced:	O7H20C23 (1)
Stoich.:	A7B20C23 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	1.25
IP(EA), eV:	-9.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3-(5-methyl-2-phenylsulfanylhex-4-enoyl)-4-phenylimidazolidin-2-one

Drug info:

PubChemData

Smile

C1C2(C3C(O3)C(O1)OCC4=CC=CC=C4)C(=O)C=CC(O2)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations