Geometry & MOs

Info

ID:

237784

PubChem CID:

92721503

Reduced:

ClN3O3C26H30 (1)

Stoich.:

AB3C3D26E30 (1)

Weight, g/mol:

447.252192

ΔHf, kcal/mol:

-28.01

Dipole, Da:

4.56

IP(EA), eV:

 -7.26(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-4,11-dimethyl-10-[(4-methylphenyl)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

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

DOS

IR

Vibrations