Geometry & MOs

Info

ID:	431124
PubChem CID:	135171194
Reduced:	S2F3O4N5C22H22 (1)
Stoich.:	A2B3C4D5E22F22 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	-247.41
Dipole, Da:	6.17
IP(EA), eV:	-8.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-2H-thiopyran-5-one

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=C(C(=O)N2C)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations