Geometry & MOs

Info

ID:	35917
PubChem CID:	7980487
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	414.061864
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	3.05
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations