Geometry & MOs

Info

ID:

43995

PubChem CID:

10322806

Reduced:

BrClN2O3C22H22 (1)

Stoich.:

ABC2D3E22F22 (1)

Weight, g/mol:

477.054353

ΔHf, kcal/mol:

-57.71

Dipole, Da:

5.25

IP(EA), eV:

 -8.62(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6R,7S)-7-chloro-2-(2,2-dimethylpropanoyl)-4-(1-methyltetrazol-5-yl)sulfanyl-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)Cl)Br)OC)C(=O)CN4CCOCC4

DOS

IR

Vibrations