Geometry & MOs

Info

ID:

445297

PubChem CID:

135265926

Reduced:

O5C19H32 (1)

Stoich.:

A5B19C32 (1)

Weight, g/mol:

607.155116

ΔHf, kcal/mol:

-256.41

Dipole, Da:

4.16

IP(EA), eV:

 -9.0(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(trifluoromethyl)phenyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC(OC1)(C)CCC(=C)OCCCCOC(=O)CCC(=O)C

DOS

IR

Vibrations