Geometry & MOs

Info

ID:

180893

PubChem CID:

76700382

Reduced:

NO11C22H38 (2)

Stoich.:

AB11C22D38 (2)

Weight, g/mol:

663.382991

ΔHf, kcal/mol:

-1071.2

Dipole, Da:

6.01

IP(EA), eV:

 -10.16(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[5-acetamido-2-carboxy-6-(1,2-dihydroxypropyl)-4-hydroxyoxan-2-yl]methyl]-2,4-dimethyl-3-propan-2-ylpentyl]-6-(1,2-dihydroxypropyl)-4-hydroxy-5-methyloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CC(OC1C(C(C)O)O)(CC(C)(C(CC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)C3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)C(C(C)C)C(C)C)C(=O)O)O

DOS

IR

Vibrations