Geometry & MOs

Info

ID:

390300

PubChem CID:

134998361

Reduced:

NO4C15H17 (4)

Stoich.:

AB4C15D17 (4)

Weight, g/mol:

1040.426647

ΔHf, kcal/mol:

-509.78

Dipole, Da:

4.49

IP(EA), eV:

 -9.32(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-acetyloxy-6-[2-(3-acetyloxypropanoyloxymethyl)-5-azido-6-[5-[benzyl(phenylmethoxycarbonyl)amino]pentoxy]-4-phenylmethoxyoxan-3-yl]oxy-3-hydroxy-4-phenylmethoxyoxane-2-carboxylate

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(C6C(O5)COC(O6)C7=CC=CC=C7)OCC8=CC=CC=C8)OC(=O)C

DOS

IR

Vibrations