Geometry & MOs

Info

ID:	33642
PubChem CID:	7887319
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	366.19483
ΔH_f, kcal/mol:	-137.71
Dipole, Da:	3.04
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC2=CC=CC=C2S1

DOS

IR

Vibrations