Geometry & MOs

Info

ID:	33644
PubChem CID:	7887325
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	366.19483
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	4.08
IP(EA), eV:	-9.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-chloroanilino)-2-oxoethyl]-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

DOS

IR

Vibrations