Geometry & MOs

Info

ID:

178781

PubChem CID:

76382032

Reduced:

FN2O2C27H37 (1)

Stoich.:

AB2C2D27E37 (1)

Weight, g/mol:

444.204256

ΔHf, kcal/mol:

-135.45

Dipole, Da:

1.97

IP(EA), eV:

 -9.03(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)OC(=O)C(C(C)CC)F

DOS

IR

Vibrations