Geometry & MOs

Info

ID:

185678

PubChem CID:

77330021

Reduced:

FNO2C15H16 (1)

Stoich.:

ABC2D15E16 (1)

Weight, g/mol:

619.198185

ΔHf, kcal/mol:

-99.76

Dipole, Da:

5.11

IP(EA), eV:

 -8.42(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)NC3=CC=C(C=C3)F

DOS

IR

Vibrations