Geometry & MOs

Info

ID:

237772

PubChem CID:

92721415

Reduced:

NOC9H11 (3)

Stoich.:

ABC9D11 (3)

Weight, g/mol:

447.252192

ΔHf, kcal/mol:

-63.76

Dipole, Da:

6.74

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=CC3=C(N2C[C@]1(C)C(=O)NC4CCCCCC4)C=CO3)C5=CC=CC=C5

DOS

IR

Vibrations