Geometry & MOs

Info

ID:	408713
PubChem CID:	135081481
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	536.204633
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	4.04
IP(EA), eV:	-8.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5S,6R)-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-5-hydroxy-4-(3-methylbut-2-enoyloxy)oxan-3-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(C(=O)N(C)C)NO

DOS

IR

Vibrations