Geometry & MOs

Info

ID:	342248
PubChem CID:	127265025
Reduced:	FO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	7.07
IP(EA), eV:	-9.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NCC(=O)NCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations