Geometry & MOs

Info

ID:

334675

PubChem CID:

127253350

Reduced:

ClF3N3O7H23C29 (1)

Stoich.:

AB3C3D7E23F29 (1)

Weight, g/mol:

331.153206

ΔHf, kcal/mol:

-347.99

Dipole, Da:

9.88

IP(EA), eV:

 -9.19(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2-acetamidoethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=C(C(=C4)F)F)F)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations