Geometry & MOs

Info

ID:	214703
PubChem CID:	85083436
Reduced:	PN2O6C31H53 (1)
Stoich.:	AB2C6D31E53 (1)
Weight, g/mol:	580.297745
ΔH_f, kcal/mol:	-392.89
Dipole, Da:	3.05
IP(EA), eV:	-9.18(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)CC(C(CC1CCCCC1)NC(=O)C(CCC)OP(=O)(CCCC2=CC=CC=C2)O)O

DOS

IR

Vibrations