Geometry & MOs

Info

ID:	214579
PubChem CID:	85083225
Reduced:	SN3O3H10C12 (2)
Stoich.:	AB3C3D10E12 (2)
Weight, g/mol:	552.266445
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	21.56
IP(EA), eV:	-7.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2-phenylethyl)phenyl]ethyl]-3-(trityloxymethyl)oxetan-2-one

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)C=CCN4C=CC5=CC(=O)C=CC5=C4

DOS

IR

Vibrations