Geometry & MOs

Info

ID:

443617

PubChem CID:

135259534

Reduced:

NO3C24H39 (1)

Stoich.:

AB3C24D39 (1)

Weight, g/mol:

630.154702

ΔHf, kcal/mol:

-153.57

Dipole, Da:

1.28

IP(EA), eV:

 -8.44(0.43)

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;N-(2-hydroxy-2-methylpropyl)formamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1CC2=CC=CC=C2)(C)C)OCCCOC3CCCCO3)C

DOS

IR

Vibrations