Geometry & MOs

Info

ID:

221736

PubChem CID:

85286091

Reduced:

ClPSiN3O6C29H37 (1)

Stoich.:

ABCD3E6F29G37 (1)

Weight, g/mol:

615.025379

ΔHf, kcal/mol:

-297.77

Dipole, Da:

9.34

IP(EA), eV:

 -9.39(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-azaniumylpropylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(OCCC#N)Cl

DOS

IR

Vibrations