Geometry & MOs

Info

ID:

176477

PubChem CID:

76056587

Reduced:

O2N5C24H27 (1)

Stoich.:

A2B5C24D27 (1)

Weight, g/mol:

607.14067

ΔHf, kcal/mol:

-5.31

Dipole, Da:

3.42

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[2-(5-oxooxolan-2-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(C1C(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N)C(=O)CNCCC4=CC=CC=C4

DOS

IR

Vibrations