Geometry & MOs

Info

ID:

304750

PubChem CID:

124766126

Reduced:

FN3O4C27H28 (1)

Stoich.:

AB3C4D27E28 (1)

Weight, g/mol:

491.278407

ΔHf, kcal/mol:

-139.9

Dipole, Da:

8.03

IP(EA), eV:

 -8.92(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)C(=O)NC4=CC=C(C=C4)F)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations