Geometry & MOs

Info

ID:	54861
PubChem CID:	17389420
Reduced:	SN3O4H17C23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	399.088892
ΔH_f, kcal/mol:	37.03
Dipole, Da:	3.24
IP(EA), eV:	-9.19(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/S2

DOS

IR

Vibrations