Geometry & MOs

Info

ID:	26410
PubChem CID:	647012
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	8.78
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O

DOS

IR

Vibrations