Geometry & MOs

Info

ID:	10804
PubChem CID:	108155
Reduced:	N2O9C27H30 (1)
Stoich.:	A2B9C27D30 (1)
Weight, g/mol:	526.195131
ΔH_f, kcal/mol:	-333.86
Dipole, Da:	11.13
IP(EA), eV:	-8.86(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O

DOS

IR

Vibrations