Geometry & MOs

Info

ID:

214758

PubChem CID:

85083594

Reduced:

OPSiN2F6C29H37 (1)

Stoich.:

ABCD2E6F29G37 (1)

Weight, g/mol:

602.089838

ΔHf, kcal/mol:

-371.36

Dipole, Da:

5.71

IP(EA), eV:

 -8.62(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[4-(carbamimidoylsulfanylmethyl)phenyl]acetyl]amino]-3-[2-(carbamimidoylsulfanylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C#C[Si](C)(C)C)OP1N(C(C(N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C

DOS

IR

Vibrations