Geometry & MOs

Info

ID:

80599

PubChem CID:

49835432

Reduced:

FON5C29H36 (1)

Stoich.:

ABC5D29E36 (1)

Weight, g/mol:

507.143962

ΔHf, kcal/mol:

-40.83

Dipole, Da:

7.12

IP(EA), eV:

 -8.08(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-(6-methylpyridin-3-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)N4CCC(CC4)C(=O)N5CCC(CC5)N6CCCC6)F

DOS

IR

Vibrations