Geometry & MOs

Info

ID:

150858

PubChem CID:

53790555

Reduced:

ON3H13C16 (1)

Stoich.:

AB3C13D16 (1)

Weight, g/mol:

527.017401

ΔHf, kcal/mol:

50.2

Dipole, Da:

1.63

IP(EA), eV:

 -9.01(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7S)-7-[[2-[(2-amino-1,3-thiazol-4-yl)oxyimino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C=CC(=O)N

DOS

IR

Vibrations