Geometry & MOs

Info

ID:

304927

PubChem CID:

124766321

Reduced:

OSN3C20H21 (1)

Stoich.:

ABC3D20E21 (1)

Weight, g/mol:

498.247835

ΔHf, kcal/mol:

45.97

Dipole, Da:

7.98

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S,6R,7R)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)C3=C2N=C(N=N3)S[C@H]4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations