Geometry & MOs

Info

ID:

179506

PubChem CID:

76490678

Reduced:

NO4C32H45 (1)

Stoich.:

AB4C32D45 (1)

Weight, g/mol:

511.124249

ΔHf, kcal/mol:

-137.63

Dipole, Da:

4.37

IP(EA), eV:

 -8.69(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,2-dimethylpropanoyl)-7-methoxy-4-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

CC1=COC(=N1)C2(CC2)C(C=CC(C)(C)C3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)O

DOS

IR

Vibrations