Geometry & MOs

Info

ID:	225226
PubChem CID:	85748007
Reduced:	FSN3O4H12C16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	151.021561
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	6.95
IP(EA), eV:	-8.44(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-fluoroacetyl)amino]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=C(C=C3)N)S(=O)(=O)O)F

DOS

IR

Vibrations