Geometry & MOs

Info

ID:

186542

PubChem CID:

77443885

Reduced:

ClO4C17H23 (1)

Stoich.:

AB4C17D23 (1)

Weight, g/mol:

842.306925

ΔHf, kcal/mol:

-194.39

Dipole, Da:

4.48

IP(EA), eV:

 -10.04(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-benzoyloxy-2-[5-carboxy-3-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-(1-hydroxyethylamino)-6-(3-hydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C(OC(O1)(C)C)C(CCCl)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations