Geometry & MOs

Info

ID:

176995

PubChem CID:

76123359

Reduced:

BrOC28H43 (1)

Stoich.:

ABC28D43 (1)

Weight, g/mol:

618.052206

ΔHf, kcal/mol:

-87.35

Dipole, Da:

4.56

IP(EA), eV:

 -8.6(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-phenoxyiminoacetyl]amino]-3-[[1-(carboxymethyl)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)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)(O)Br)C)C

DOS

IR

Vibrations