Geometry & MOs

Info

ID:

792

PubChem CID:

3361

Reduced:

FS2N6O7C15H19 (1)

Stoich.:

AB2C6D7E15F19 (1)

Weight, g/mol:

478.074067

ΔHf, kcal/mol:

-216.61

Dipole, Da:

9.1

IP(EA), eV:

 -9.51(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(fluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSCF

DOS

IR

Vibrations