Geometry & MOs

Info

ID:

219863

PubChem CID:

85164978

Reduced:

ClNiO2S4N7H16C20 (1)

Stoich.:

ABC2D4E7F16G20 (1)

Weight, g/mol:

609.0705

ΔHf, kcal/mol:

145.99

Dipole, Da:

11.01

IP(EA), eV:

 -8.4(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N)C1=C([S-])SN=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C4=CC=CC=C4.Cl[Ni]

DOS

IR

Vibrations