Geometry & MOs

Info

ID:

328382

PubChem CID:

126705225

Reduced:

NO4H25C27 (1)

Stoich.:

AB4C25D27 (1)

Weight, g/mol:

832.336494

ΔHf, kcal/mol:

-82.46

Dipole, Da:

5.28

IP(EA), eV:

 -9.3(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2S,3R,4S,5R)-4,5-diacetyloxy-3-methyl-6-prop-2-enoxyoxan-2-yl]methoxy]-3-methyloxan-2-yl]methoxy]-3-methyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C3=C(CCO2)C=CC(=C3)COC4=NC=C5[C@H]6[C@H]([C@@H]6C(=O)O)CC5=C4

DOS

IR

Vibrations