Geometry & MOs

Info

ID:

326518

PubChem CID:

126687706

Reduced:

NO7C30H51 (1)

Stoich.:

AB7C30D51 (1)

Weight, g/mol:

541.165621

ΔHf, kcal/mol:

-357.78

Dipole, Da:

1.97

IP(EA), eV:

 -8.63(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-8-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-4,5-dihydroxy-10-methyl-14-oxo-7,15-dioxa-1,10-diazatricyclo[7.4.1.13,6]pentadec-12-ene-13-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(N1C)O[C@@H]2C(O[C@H](C(C2O)C(C)COC3=C(C=C(C=C3)CCC(C)C)O)O)CO

DOS

IR

Vibrations