Geometry & MOs

Info

ID:	230906
PubChem CID:	87572230
Reduced:	NO6C11H17 (1)
Stoich.:	AB6C11D17 (1)
Weight, g/mol:	616.078564
ΔH_f, kcal/mol:	-232.31
Dipole, Da:	1.94
IP(EA), eV:	-10.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-(2,4-difluorophenoxy)-2-[4-(oxolan-3-ylsulfonyl)phenyl]acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)CCCCOCCO

DOS

IR

Vibrations