Geometry & MOs

Info

ID:	427329
PubChem CID:	135157213
Reduced:	FSN4O6C31H37 (1)
Stoich.:	ABC4D6E31F37 (1)
Weight, g/mol:	374.241687
ΔH_f, kcal/mol:	-241.01
Dipole, Da:	8.67
IP(EA), eV:	-8.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]propyl]piperazin-1-yl]propoxy]acetic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2=C(C=C(C=C2)F)C(C(=O)NC3=NC=CS3)N4CC5=C(C4=O)C(=CC=C5)NCCCCOCCCO

DOS

IR

Vibrations