Geometry & MOs

Info

ID:

180892

PubChem CID:

76700381

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

984.488972

ΔHf, kcal/mol:

-165.44

Dipole, Da:

2.11

IP(EA), eV:

 -9.58(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-2-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-3-[[2-carboxy-6-(1,2-dihydroxypropyl)-4-hydroxy-5-methyloxan-2-yl]methyl]-3,5-dimethyl-4-propan-2-ylhexyl]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCCNO

DOS

IR

Vibrations