Geometry & MOs

Info

ID:	35900
PubChem CID:	7980466
Reduced:	ClNO5H16C20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	401.066615
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	5.14
IP(EA), eV:	-9.95(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations