Geometry & MOs

Info

ID:

232820

PubChem CID:

87577128

Reduced:

SO3N5C25H26 (2)

Stoich.:

AB3C5D25E26 (2)

Weight, g/mol:

544.017257

ΔHf, kcal/mol:

39.73

Dipole, Da:

8.68

IP(EA), eV:

 -8.39(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CN3C2=NC(=N3)N(C4=CC=C(C=C4)OCCN5CCCC5)N(C6=CC=C(C=C6)OCCN7CCCC7)C8=NN9C=CC=C(C9=N8)C1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations