Geometry & MOs

Info

ID:

146344

PubChem CID:

53672834

Reduced:

OC13H22 (2)

Stoich.:

AB13C22 (2)

Weight, g/mol:

633.19923

ΔHf, kcal/mol:

-147.76

Dipole, Da:

2.68

IP(EA), eV:

 -9.56(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-8-oxo-7-[[2-phenyl-2-[[(1S,2R,6R,7S)-1,2,4,7-tetrahydroxy-3,3,8,8-tetramethyl-5-oxatricyclo[5.1.0.02,4]octan-6-yl]methoxycarbonylamino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(CC)(CCCC)O

DOS

IR

Vibrations