Geometry & MOs

Info

ID:	35893
PubChem CID:	7980455
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	3.62
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations