Geometry & MOs

Info

ID:	49576
PubChem CID:	11533294
Reduced:	FSO3N4H25C26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	492.153988
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	6.16
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloropyridin-2-yl)oxy-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)CCNC(=O)NS(=O)(=O)C3=CC=CC=C3F)C)C4=CC=CC=C4

DOS

IR

Vibrations