Geometry & MOs

Info

ID:

45079

PubChem CID:

10507822

Reduced:

IN2O2C31H43 (1)

Stoich.:

AB2C2D31E43 (1)

Weight, g/mol:

580.273106

ΔHf, kcal/mol:

-58.74

Dipole, Da:

10.53

IP(EA), eV:

 -7.3(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5.[I-]

DOS

IR

Vibrations