Geometry & MOs

Info

ID:	429408
PubChem CID:	135169439
Reduced:	ON2F4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	541.197003
ΔH_f, kcal/mol:	-236.98
Dipole, Da:	6.2
IP(EA), eV:	-8.82(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-methylphenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)/C(=C(/C(F)(F)F)\F)/N2CCOCC2

DOS

IR

Vibrations