Geometry & MOs

Info

ID:	437075
PubChem CID:	135214582
Reduced:	FO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	552.232779
ΔH_f, kcal/mol:	-147.88
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(2-methoxypropan-2-ylsulfinyl)ethyl]piperazin-1-yl]ethanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1OCC2=CC=CC=C2)C(=O)OC3=CC=CC=C3)C)F)CO

DOS

IR

Vibrations