Geometry & MOs

Info

ID:

214546

PubChem CID:

85083174

Reduced:

ClO7C30H39 (1)

Stoich.:

AB7C30D39 (1)

Weight, g/mol:

549.195859

ΔHf, kcal/mol:

-334.48

Dipole, Da:

7.03

IP(EA), eV:

 -9.8(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[3,5-dihydroxy-6-(hydroxymethyl)-4-(quinolin-2-ylmethoxy)oxan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)C(C)C2=CC(C3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)Cl)O)C)O)OC(=O)C)C

DOS

IR

Vibrations