Geometry & MOs

Info

ID:

144501

PubChem CID:

53378671

Reduced:

BrNSO4C21H24 (1)

Stoich.:

ABCD4E21F24 (1)

Weight, g/mol:

1207.577453

ΔHf, kcal/mol:

-131.93

Dipole, Da:

3.91

IP(EA), eV:

-8.76(-0.44)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-4,5-bis(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-6-(naphthalen-1-ylmethoxy)oxan-3-yl]oxy-4,5-bis(2,2-dimethylpropanoyloxy)-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC2=C(S1)CCN(C2)[C@@H](C3=CC=CC=C3Br)C(=O)OCC

DOS

IR

Vibrations