Geometry & MOs

Info

ID:	185857
PubChem CID:	77360912
Reduced:	NaN4O5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	475.175478
ΔH_f, kcal/mol:	-199.53
Dipole, Da:	21.79
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-8-(methylaminomethyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1C2C3CCCC(C3=C(N2C1=O)C(=O)[O-])NC(=O)NC4=CC=C(C=C4)C#N)O.[Na+]

DOS

IR

Vibrations