Geometry & MOs

Info

ID:	339678
PubChem CID:	127261680
Reduced:	ClOSN3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	227.052861
ΔH_f, kcal/mol:	2.59
Dipole, Da:	2.54
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-(4-fluorophenyl)sulfanylethylideneamino]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC/C=N/NC(=O)N)Cl

DOS

IR

Vibrations