Geometry & MOs

Info

ID:	18466
PubChem CID:	541361
Reduced:	O14H28C31 (1)
Stoich.:	A14B28C31 (1)
Weight, g/mol:	624.147906
ΔH_f, kcal/mol:	-529.59
Dipole, Da:	9.87
IP(EA), eV:	-9.49(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5,12-tetraacetyloxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl)ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2OC(=O)C)C(=O)C4=C(C3=O)C=CC=C4OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations