Geometry & MOs

Info

ID:	15117
PubChem CID:	429838
Reduced:	SN3O7C27H27 (1)
Stoich.:	AB3C7D27E27 (1)
Weight, g/mol:	537.156971
ΔH_f, kcal/mol:	-199.89
Dipole, Da:	6.24
IP(EA), eV:	-8.81(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,9,11-tetrahydroxy-4-methoxy-9-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=CS2)C3(CC(C4=C(C3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C=CC=C6OC)O)O)O

DOS

IR

Vibrations