Geometry & MOs

Info

ID:	149505
PubChem CID:	53789178
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-241.09
Dipole, Da:	3.46
IP(EA), eV:	-9.31(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacridin-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC(=O)C=CC2=NC3=C1C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C

DOS

IR

Vibrations