Geometry & MOs

Info

ID:	35915
PubChem CID:	7980485
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	414.061864
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	2.35
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations