Geometry & MOs

Info

ID:	56084
PubChem CID:	17404312
Reduced:	FSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-138.24
Dipole, Da:	4.97
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations