Geometry & MOs

Info

ID:

431537

PubChem CID:

135171625

Reduced:

ClFPN5O6H36C39 (1)

Stoich.:

ABCD5E6F36G39 (1)

Weight, g/mol:

344.109169

ΔHf, kcal/mol:

-159.25

Dipole, Da:

6.56

IP(EA), eV:

 -9.2(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5S)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-5-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)N3CC4=C[C@@H]4[C@H]3C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl)C7=CN=C(N=C7)C)OCC

DOS

IR

Vibrations