Geometry & MOs

Info

ID:

314754

PubChem CID:

126623007

Reduced:

FCl2O3N6C26H27 (1)

Stoich.:

AB2C3D6E26F27 (1)

Weight, g/mol:

285.157623

ΔHf, kcal/mol:

-90.23

Dipole, Da:

5.79

IP(EA), eV:

 -9.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-(methoxymethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)N[C@H](C)[C@H]5CC5(Cl)Cl)F

DOS

IR

Vibrations