Geometry & MOs

Info

ID:

12190

PubChem CID:

132095

Reduced:

S2N5O8C21H21 (1)

Stoich.:

A2B5C8D21E21 (1)

Weight, g/mol:

535.083155

ΔHf, kcal/mol:

-169.89

Dipole, Da:

9.49

IP(EA), eV:

 -8.92(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)C(=NOC)C4=CSC(=N4)N)C(=C)C

DOS

IR

Vibrations