Geometry & MOs

Info

ID:

214454

PubChem CID:

85083064

Reduced:

ISN2O5C20H29 (1)

Stoich.:

ABC2D5E20F29 (1)

Weight, g/mol:

536.247362

ΔHf, kcal/mol:

-167.58

Dipole, Da:

13.66

IP(EA), eV:

 -8.24(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.I

DOS

IR

Vibrations