Geometry & MOs

Info

ID:

168349

PubChem CID:

74956475

Reduced:

N4O35C73H96 (1)

Stoich.:

A4B35C73D96 (1)

Weight, g/mol:

1101.38015

ΔHf, kcal/mol:

-1466.44

Dipole, Da:

8.94

IP(EA), eV:

 -8.13(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylamino]butanoyl]amino]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCCNC(=O)CCC(CCC(=O)NCCOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(CCC(=O)NCCOC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations