Geometry & MOs

Info

ID:	438606
PubChem CID:	135228350
Reduced:	S2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	543.174061
ΔH_f, kcal/mol:	2.02
Dipole, Da:	2.13
IP(EA), eV:	-8.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,9S)-7-[(2R,4S,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC)CSC

DOS

IR

Vibrations