Geometry & MOs

Info

ID:	408845
PubChem CID:	135081615
Reduced:	N2O2C3H4 (1)
Stoich.:	A2B2C3D4 (1)
Weight, g/mol:	512.168247
ΔH_f, kcal/mol:	26.83
Dipole, Da:	15.88
IP(EA), eV:	-8.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S)-5-acetyloxy-3-hydroxy-2-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1=C(ON=C1[O-])[NH3+]

DOS

IR

Vibrations