Geometry & MOs

Info

ID:

390301

PubChem CID:

134998362

Reduced:

N4O17C54H64 (1)

Stoich.:

A4B17C54D64 (1)

Weight, g/mol:

1056.356836

ΔHf, kcal/mol:

-572.43

Dipole, Da:

5.1

IP(EA), eV:

 -9.35(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,4,5-tribenzoyloxy-6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]oxan-2-yl]oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)OCCC(=O)OCC1C(C(C(C(O1)OCCCCCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N=[N+]=[N-])OCC4=CC=CC=C4)OC5C(C(C(C(O5)C(=O)OC)O)OCC6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations