Geometry & MOs

Info

ID:	139152
PubChem CID:	52483180
Reduced:	ClN2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	6.15
IP(EA), eV:	-9.68(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations