Geometry & MOs

Info

ID:

178972

PubChem CID:

76411509

Reduced:

S2N5O6C18H21 (1)

Stoich.:

A2B5C6D18E21 (1)

Weight, g/mol:

573.09228

ΔHf, kcal/mol:

-138.35

Dipole, Da:

3.66

IP(EA), eV:

 -9.1(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetyl]amino]-8-oxo-3-(2-pyridin-3-ylethenylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)C2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations