Geometry & MOs

Info

ID:	76665
PubChem CID:	48425213
Reduced:	SF3N3O3C14H22 (1)
Stoich.:	AB3C3D3E14F22 (1)
Weight, g/mol:	368.203525
ΔH_f, kcal/mol:	-291.25
Dipole, Da:	5.04
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-oxo-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CN2CCSC2=O

DOS

IR

Vibrations