Geometry & MOs

Info

ID:

179370

PubChem CID:

76472791

Reduced:

F2O5C24H38 (1)

Stoich.:

A2B5C24D38 (1)

Weight, g/mol:

517.145361

ΔHf, kcal/mol:

-411.66

Dipole, Da:

4.99

IP(EA), eV:

 -10.46(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1CC(CC2C1C(C(CC2)C)CCC3CC(CC(=O)O3)O)(F)F

DOS

IR

Vibrations