Geometry & MOs

Info

ID:

443618

PubChem CID:

135259539

Reduced:

SN4O4F8C25H26 (1)

Stoich.:

AB4C4D8E25F26 (1)

Weight, g/mol:

513.075723

ΔHf, kcal/mol:

-530.86

Dipole, Da:

3.62

IP(EA), eV:

 -9.64(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CNC=O)O.C1CN(CCC1C#N)C(=O)C2=C(SC=N2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C(F)F

DOS

IR

Vibrations