Geometry & MOs

Info

ID:	315027
PubChem CID:	126624224
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	5.55
IP(EA), eV:	-8.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-hydroxy-3-(2-sulfanylethylamino)benzoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC2=C(C(=O)C2=O)NC3=CC=CNC3=O

DOS

IR

Vibrations