Geometry & MOs

Info

ID:

148221

PubChem CID:

53787883

Reduced:

BrNOC12H14 (1)

Stoich.:

ABCD12E14 (1)

Weight, g/mol:

491.05694

ΔHf, kcal/mol:

-20.59

Dipole, Da:

2.05

IP(EA), eV:

 -9.48(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(4-methyl-5-oxofuran-2-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(CO2)(C)C)Br

DOS

IR

Vibrations