Geometry & MOs

Info

ID:

445292

PubChem CID:

135265898

Reduced:

OSN2C12H18 (1)

Stoich.:

ABC2D12E18 (1)

Weight, g/mol:

603.196587

ΔHf, kcal/mol:

-9.67

Dipole, Da:

3.86

IP(EA), eV:

 -8.1(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-2-fluoro-4-[2-[1-(2-methylpropylamino)ethenyl]-4-[1-(2-methylpyrrolidin-1-yl)ethenyl]-4,5-dihydro-1,3-thiazol-5-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Drug info:

PubChemData

Smile

CC(CCCNC=C)C1=CSC(=N1)C(=O)C

DOS

IR

Vibrations