Geometry & MOs

Info

ID:	68362
PubChem CID:	46508263
Reduced:	ClSN4O5H11C15 (1)
Stoich.:	ABC4D5E11F15 (1)
Weight, g/mol:	327.215806
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	4.63
IP(EA), eV:	-9.25(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CSC3=C(C=CC=N3)Cl

DOS

IR

Vibrations