Geometry & MOs

Info

ID:	149504
PubChem CID:	53789177
Reduced:	N2O5C36H46 (1)
Stoich.:	A2B5C36D46 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-183.34
Dipole, Da:	8.33
IP(EA), eV:	-8.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CCCCCOC2=CC=CC(=N2)C=CC3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O

DOS

IR

Vibrations