Geometry & MOs

Info

ID:	266818
PubChem CID:	103579617
Reduced:	FNCl2O3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	251.969103
ΔH_f, kcal/mol:	-189.17
Dipole, Da:	6.75
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichloro-4-fluorophenyl)-3-methylthiourea

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=CC(=C(C(=C2)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations