Geometry & MOs

Info

ID:

191605

PubChem CID:

78168042

Reduced:

O3C15H26 (1)

Stoich.:

A3B15C26 (1)

Weight, g/mol:

601.089697

ΔHf, kcal/mol:

-158.8

Dipole, Da:

3.83

IP(EA), eV:

 -9.59(2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-[[(5-hydroxy-1-methyl-4-oxopyridine-2-carbonyl)amino]methyl]-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCC2C(C3C1(O3)C)C(CCC2(C)O)(C)O

DOS

IR

Vibrations