Geometry & MOs

Info

ID:

176531

PubChem CID:

76063139

Reduced:

N3O4H21C23 (1)

Stoich.:

A3B4C21D23 (1)

Weight, g/mol:

673.081835

ΔHf, kcal/mol:

-8.9

Dipole, Da:

6.47

IP(EA), eV:

 -9.13(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[[2-[[3,4-bis(methylsulfonyl)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3C(CCNC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations