Geometry & MOs

Info

ID:

412354

PubChem CID:

135085244

Reduced:

Br2N4O4C25H30 (1)

Stoich.:

A2B4C4D25E30 (1)

Weight, g/mol:

586.250144

ΔHf, kcal/mol:

-57.1

Dipole, Da:

9.44

IP(EA), eV:

 -8.75(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(1R)-1-[(4S)-4-[hydroxy(diphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-phenylethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H]([N@@+](C1)(CCC[N@@+]2(CCC[C@H]2C(=O)NC3=CC=C(C=C3)Br)[O-])[O-])C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations