Geometry & MOs

Info

ID:	138603
PubChem CID:	52392499
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	312.252526
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	3.8
IP(EA), eV:	-8.97(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-amino-2-oxoethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CCN(C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations