Geometry & MOs

Info

ID:	342229
PubChem CID:	127265006
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	414.080491
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	0.97
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CNC(=O)C2=C3CCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations