Geometry & MOs

Info

ID:	343330
PubChem CID:	127266503
Reduced:	ClS4N5O5C25H28 (1)
Stoich.:	AB4C5D5E25F28 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	4.74
IP(EA), eV:	-8.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)CSC(=CC2=CC=CS2)C(=O)N(CCN)C(=O)NCCN3C(=O)C(=CC4=CC=CS4)SC3=O.Cl

DOS

IR

Vibrations