Geometry & MOs

Info

ID:

297271

PubChem CID:

117614319

Reduced:

O4N5C30H37 (1)

Stoich.:

A4B5C30D37 (1)

Weight, g/mol:

2571.912623

ΔHf, kcal/mol:

-104.9

Dipole, Da:

10.89

IP(EA), eV:

 -8.74(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5S)-3,4-diacetyloxy-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-carbamoyloxyoxan-2-yl]oxy-6-[2-[2-[[7-[2-[2-[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-carbamoyloxyoxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-4-[3-[2-[2-[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-carbamoyloxyoxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-3-oxopropyl]-7-oxo-4-[3-(phenylmethoxycarbonylamino)propanoylamino]heptanoyl]amino]ethoxy]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCC(CC1)(C2=CC=C(C=C2)NC3=C4C(=CC=NC4=O)N(N3)[C@H]5CCCC[C@@H]5C#N)O

DOS

IR

Vibrations