Geometry & MOs

Info

ID:

237769

PubChem CID:

92721411

Reduced:

FN3O3C25H28 (1)

Stoich.:

AB3C3D25E28 (1)

Weight, g/mol:

437.21147

ΔHf, kcal/mol:

-105.58

Dipole, Da:

3.87

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CN2C3=C(C=C2C(=O)N1CC4=CC=C(C=C4)F)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations