Geometry & MOs

Info

ID:	230523
PubChem CID:	87571227
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	591.130934
ΔH_f, kcal/mol:	-176.2
Dipole, Da:	2.68
IP(EA), eV:	-9.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C=CC(=C)OC(=O)CCCCCCCCC(=O)O

DOS

IR

Vibrations