Geometry & MOs

Info

ID:	230903
PubChem CID:	87572226
Reduced:	FSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	352.09168
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	7.49
IP(EA), eV:	-9.38(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=NC(=C(S2)C#N)C3=CC(=CC=C3)F)OC=O

DOS

IR

Vibrations