Geometry & MOs

Info

ID:

237757

PubChem CID:

92721356

Reduced:

ClN3O3C24H26 (1)

Stoich.:

AB3C3D24E26 (1)

Weight, g/mol:

453.181919

ΔHf, kcal/mol:

-61.42

Dipole, Da:

5.04

IP(EA), eV:

 -9.03(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-10-[(4-chlorophenyl)methyl]-N-cycloheptyl-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)N1C4=CC=C(C=C4)Cl)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations