Geometry & MOs

Info

ID:	35895
PubChem CID:	7980461
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	3.42
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations