Geometry & MOs

Info

ID:

438915

PubChem CID:

135228676

Reduced:

ON2C30H38 (1)

Stoich.:

AB2C30D38 (1)

Weight, g/mol:

686.278585

ΔHf, kcal/mol:

13.77

Dipole, Da:

7.62

IP(EA), eV:

 -7.32(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)/C(=C/NCC(=O)C)/C=C

DOS

IR

Vibrations