Geometry & MOs

Info

ID:	218244
PubChem CID:	85089079
Reduced:	NSF2O4C22H29 (1)
Stoich.:	ABC2D4E22F29 (1)
Weight, g/mol:	441.200521
ΔH_f, kcal/mol:	-254.18
Dipole, Da:	4.45
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(benzenesulfonylmethyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

CCC12CCC3C(C1CCCC2=C(F)F)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

DOS

IR

Vibrations