Geometry & MOs

Info

ID:	376068
PubChem CID:	134222070
Reduced:	NO10C45H51 (1)
Stoich.:	AB10C45D51 (1)
Weight, g/mol:	288.094392
ΔH_f, kcal/mol:	-327.78
Dipole, Da:	8.36
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[ethyl-[4-[(1S)-3-fluoro-1-hydroxypropyl]phenyl]-oxo-lambda6-sulfanylidene]urea

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1C(C(OC1OCC(C(C(COCC2=CC3=CC=CC=C3C=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CO)O

DOS

IR

Vibrations