Geometry & MOs

Info

ID:	380684
PubChem CID:	134971206
Reduced:	NSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	413.169221
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	4.51
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-5-[(1R)-2-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-1-trimethylsilyloxyethyl]-4-pyrrolidin-1-ylfuran-2-one

Drug info:

PubChemData

Smile

CC1=CCS(=O)(=O)C1CC(=O)C2(C(=CC(=O)O2)N3CCCC3)C

DOS

IR

Vibrations