Geometry & MOs

Info

ID:	184472
PubChem CID:	77164891
Reduced:	ClSF3N4O5H20C22 (1)
Stoich.:	ABC3D4E5F20G22 (1)
Weight, g/mol:	557.282292
ΔH_f, kcal/mol:	-268.69
Dipole, Da:	1.82
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F.C1C(OC(S1)CO)N2C=CC(=NC2=O)N

DOS

IR

Vibrations