Geometry & MOs

Info

ID:	31979
PubChem CID:	3726729
Reduced:	S2N3O6C16H17 (1)
Stoich.:	A2B3C6D16E17 (1)
Weight, g/mol:	434.25292
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	8.25
IP(EA), eV:	-8.94(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-[6-methyl-3-(2-propoxyethylcarbamoyl)pyridin-2-yl]piperidine-1-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations