Geometry & MOs

Info

ID:

237780

PubChem CID:

92721424

Reduced:

ClN3O4C25H28 (1)

Stoich.:

AB3C4D25E28 (1)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

-98.76

Dipole, Da:

4.61

IP(EA), eV:

 -8.72(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-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)N1C4=CC(=C(C=C4)OC)Cl)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations