Geometry & MOs

Info

ID:	230505
PubChem CID:	87571145
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	622.136748
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	2.16
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/CCCCOC1=CC=CC(=C1F)CN

DOS

IR

Vibrations