Geometry & MOs

Info

ID:

146371

PubChem CID:

53677359

Reduced:

N2F3O4C39H51 (1)

Stoich.:

A2B3C4D39E51 (1)

Weight, g/mol:

485.125671

ΔHf, kcal/mol:

-314.27

Dipole, Da:

10.56

IP(EA), eV:

 -9.0(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-3,3-dimethyl-6-[(4-nitrophenyl)methoxy]-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)CC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCCCC

DOS

IR

Vibrations