Geometry & MOs

Info

ID:

150303

PubChem CID:

53789991

Reduced:

OC25H41 (2)

Stoich.:

AB25C41 (2)

Weight, g/mol:

463.177707

ΔHf, kcal/mol:

-148.0

Dipole, Da:

1.9

IP(EA), eV:

 -8.7(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl (2S,5R)-2-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C

DOS

IR

Vibrations