Geometry & MOs

Info

ID:	35909
PubChem CID:	7980478
Reduced:	ClNO5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	4.05
IP(EA), eV:	-9.9(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations