Geometry & MOs

Info

ID:	214637
PubChem CID:	85083324
Reduced:	SSiN3O5C29H33 (1)
Stoich.:	ABC3D5E29F33 (1)
Weight, g/mol:	563.249415
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-phenylsulfanylpentanoyl)-5-(trityloxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C(C(C(C(O3)SC)N=[N+]=[N-])O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations