Geometry & MOs

Info

ID:	233558
PubChem CID:	91145447
Reduced:	FN3O5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	546.200216
ΔH_f, kcal/mol:	-201.79
Dipole, Da:	3.71
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-(benzamidomethyl)-7-ethyl-10,12a-dihydroxy-4-methyl-1,3,11,12-tetraoxo-4a,5,6,11a-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(C4CC(CN4)F)OC5CCC(CC5)C(=O)O

DOS

IR

Vibrations