Geometry & MOs

Info

ID:

242674

PubChem CID:

97857839

Reduced:

NO3C13H19 (1)

Stoich.:

AB3C13D19 (1)

Weight, g/mol:

509.288971

ΔHf, kcal/mol:

-121.74

Dipole, Da:

6.62

IP(EA), eV:

 -9.79(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5S,6R,7S)-3-[(2R)-butan-2-yl]-2-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H](COC)C(=O)N[C@H](CO)C1=CC=CC=C1

DOS

IR

Vibrations