Geometry & MOs

Info

ID:	420774
PubChem CID:	135114793
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	-131.37
Dipole, Da:	6.46
IP(EA), eV:	-9.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations