Geometry & MOs

Info

ID:

214618

PubChem CID:

85083285

Reduced:

BrO5H27C31 (1)

Stoich.:

AB5C27D31 (1)

Weight, g/mol:

559.119541

ΔHf, kcal/mol:

-133.66

Dipole, Da:

3.98

IP(EA), eV:

 -9.6(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(3-hydroxyprop-1-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=CC(=O)CCC5=CC=C(C=C5)Br

DOS

IR

Vibrations