Geometry & MOs

Info

ID:

179547

PubChem CID:

76496213

Reduced:

SN4O5C47H52 (1)

Stoich.:

AB4C5D47E52 (1)

Weight, g/mol:

389.069986

ΔHf, kcal/mol:

-124.2

Dipole, Da:

6.42

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[7-chloro-2-(2,2-dimethylpropanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=CC3=C2OCCC3N(CCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)OC(C)(C)C

DOS

IR

Vibrations