Geometry & MOs

Info

ID:

148723

PubChem CID:

53788392

Reduced:

ClNPSO4C9H11 (1)

Stoich.:

ABCDE4F9G11 (1)

Weight, g/mol:

606.049762

ΔHf, kcal/mol:

-158.49

Dipole, Da:

6.75

IP(EA), eV:

 -10.23(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOP(=S)(OC1=CC(=C(C=C1)[N+](=O)[O-])C)Cl

DOS

IR

Vibrations