Geometry & MOs

Info

ID:	34333
PubChem CID:	7890811
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	6.98
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations