Geometry & MOs

Info

ID:

146468

PubChem CID:

53695129

Reduced:

N2O2S3C7H11 (2)

Stoich.:

A2B2C3D7E11 (2)

Weight, g/mol:

498.062754

ΔHf, kcal/mol:

-73.79

Dipole, Da:

0.5

IP(EA), eV:

 -9.07(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(=NOC(=O)N(C)SSN(C)C(=O)ON=C2C(SCS2)(C)C)SCS1)C

DOS

IR

Vibrations