Geometry & MOs

Info

ID:	414246
PubChem CID:	135087202
Reduced:	FNSO4C21H24 (1)
Stoich.:	ABCD4E21F24 (1)
Weight, g/mol:	350.144199
ΔH_f, kcal/mol:	-174.76
Dipole, Da:	5.96
IP(EA), eV:	-9.06(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-difluorophenyl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)S(=O)(=O)CC4=CC=CC=C4F)OCC2

DOS

IR

Vibrations