Geometry & MOs

Info

ID:	230224
PubChem CID:	87570458
Reduced:	ZrO6F8C26H36 (1)
Stoich.:	AB6C8D26E36 (1)
Weight, g/mol:	575.063249
ΔH_f, kcal/mol:	-549.01
Dipole, Da:	4.8
IP(EA), eV:	-6.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

CCCO.CCCO.COCCC1=C(C(=C(C(=C1F)F)CO)F)F.COCCC1=C(C(=C(C(=C1F)F)CO)F)F.[Zr]

DOS

IR

Vibrations