Geometry & MOs

Info

ID:	167410
PubChem CID:	74823662
Reduced:	NOSC23H23 (1)
Stoich.:	ABCD23E23 (1)
Weight, g/mol:	333.145047
ΔH_f, kcal/mol:	4.98
Dipole, Da:	2.32
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-oxo-5-[3-(oxolan-2-ylmethylcarbamoyl)anilino]pentanoate

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)C2=CC=CC3=CC=CC=C32)SC4=CC=CC=C4

DOS

IR

Vibrations