Geometry & MOs

Info

ID:

237789

PubChem CID:

92721529

Reduced:

N3O3C28H35 (1)

Stoich.:

A3B3C28D35 (1)

Weight, g/mol:

461.267842

ΔHf, kcal/mol:

-64.51

Dipole, Da:

3.43

IP(EA), eV:

 -8.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-4,11-dimethyl-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

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

DOS

IR

Vibrations