Geometry & MOs

Info

ID:

148349

PubChem CID:

53788011

Reduced:

N2O3C26H36 (1)

Stoich.:

A2B3C26D36 (1)

Weight, g/mol:

541.062043

ΔHf, kcal/mol:

-118.21

Dipole, Da:

7.48

IP(EA), eV:

 -9.74(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-hydroxyethoxyimino)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

DOS

IR

Vibrations