Geometry & MOs

Info

ID:	228945
PubChem CID:	87566321
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	602.054082
ΔH_f, kcal/mol:	-145.99
Dipole, Da:	3.37
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)N2CCC(/C(=C\C3=CN(N=C3)CCC(=O)O)/C2)S

DOS

IR

Vibrations