Geometry & MOs

Info

ID:	47034
PubChem CID:	10529040
Reduced:	BrClNSO8C15H19 (1)
Stoich.:	ABCDE8F15G19 (1)
Weight, g/mol:	489.233535
ΔH_f, kcal/mol:	-336.8
Dipole, Da:	3.13
IP(EA), eV:	-9.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2Cl)COC(=O)OCCBr

DOS

IR

Vibrations