Geometry & MOs

Info

ID:

237788

PubChem CID:

92721528

Reduced:

FN3O3C26H30 (1)

Stoich.:

AB3C3D26E30 (1)

Weight, g/mol:

461.267842

ΔHf, kcal/mol:

-116.99

Dipole, Da:

3.33

IP(EA), eV:

 -8.68(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-[(2R)-2-phenylpropyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C3N2C[C@](N(C3=O)CC4=CC=C(C=C4)F)(C)C(=O)NC5CCCCCC5

DOS

IR

Vibrations