Geometry & MOs

Info

ID:	37693
PubChem CID:	8023340
Reduced:	ClS2N4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	118.52
Dipole, Da:	2.18
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-butyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations