Geometry & MOs

Info

ID:	58160
PubChem CID:	24424463
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	275.112605
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	10.11
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylsulfanylpropylcarbamothioyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations