Geometry & MOs

Info

ID:	317230
PubChem CID:	126634558
Reduced:	FNO3H16C23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	476.201275
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	3.57
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-pyrrolidin-1-ylsulfanylpropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C3=CC=CC=C3O/C(=C\C4=CC=C(C=C4)C=O)/C2=O)F

DOS

IR

Vibrations