Geometry & MOs

Info

ID:	416814
PubChem CID:	135090471
Reduced:	ClSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	4.82
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butylsulfanylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations