Geometry & MOs

Info

ID:

45259

PubChem CID:

10510240

Reduced:

CoN4C30H36 (2)

Stoich.:

AB4C30D36 (2)

Weight, g/mol:

904.296242

ΔHf, kcal/mol:

163.2

Dipole, Da:

26.99

IP(EA), eV:

 -8.8(-6.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (6R,7R)-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-7-[[(2Z)-2-(2-fluoroethoxyimino)-2-[5-(tritylamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C([N-]C=C1C)/C=C\2/N=C(C(=C2C)CCC3=C([N-]C(=C3C)/C=C\4/N=CC(=C4CC)C)C)C.CCC1=C([N-]C=C1C)/C=C\2/N=C(C(=C2C)CCC3=C([N-]C(=C3C)/C=C\4/N=CC(=C4CC)C)C)C.[Co+2].[Co+2]

DOS

IR

Vibrations