Geometry & MOs

Info

ID:	230520
PubChem CID:	87571211
Reduced:	NO5C25H47 (1)
Stoich.:	AB5C25D47 (1)
Weight, g/mol:	620.157483
ΔH_f, kcal/mol:	-319.96
Dipole, Da:	4.49
IP(EA), eV:	-10.25(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)OCCCCCCCC

DOS

IR

Vibrations