Geometry & MOs

Info

ID:

147396

PubChem CID:

53787052

Reduced:

FNPO5H33C34 (1)

Stoich.:

ABCD5E33F34 (1)

Weight, g/mol:

597.088258

ΔHf, kcal/mol:

-187.98

Dipole, Da:

4.19

IP(EA), eV:

 -9.41(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetyl]amino]-3-[[1-(2-carboxyethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=N1)C2=CC=CC=C2CC3=CC=CC=C3)C4=CC=C(C=C4)F)C#CP(=O)(C[C@H](CC(=O)O)O)OC

DOS

IR

Vibrations