Geometry & MOs

Info

ID:	437334
PubChem CID:	135224932
Reduced:	IN2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	541.194796
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	3.05
IP(EA), eV:	-8.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC2(C1)CCN(C2)I

DOS

IR

Vibrations