Geometry & MOs

Info

ID:	379651
PubChem CID:	134454111
Reduced:	F2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	477.02301
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	0.86
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(4E)-4-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-1,2,5-oxadiazol-3-yl]amino]ethyl]-3-[dimethyl(oxo)-lambda6-sulfanylidene]urea

Drug info:

PubChemData

Smile

CCCCOC1=C(C2=C(C=C1)C3=C(O2)C(=C(C=C3)CCC4CCCO4)F)F

DOS

IR

Vibrations