Geometry & MOs

Info

ID:

49222

PubChem CID:

11532010

Reduced:

NSO2C26H37 (1)

Stoich.:

ABC2D26E37 (1)

Weight, g/mol:

429.223926

ΔHf, kcal/mol:

-81.9

Dipole, Da:

6.34

IP(EA), eV:

 -8.42(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-3-(oxan-4-ylamino)-N-[[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4C[C@@H](C[C@]4(CC3)C)S(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations