Geometry & MOs

Info

ID:	37867
PubChem CID:	8025195
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	3.44
IP(EA), eV:	-8.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3CCCCC3)OC

DOS

IR

Vibrations