Geometry & MOs

Info

ID:	35913
PubChem CID:	7980483
Reduced:	ClNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	411.08735
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	4.64
IP(EA), eV:	-9.44(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations