Geometry & MOs

Info

ID:	421069
PubChem CID:	135115312
Reduced:	NSCl2O3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	4.75
IP(EA), eV:	-9.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations