Geometry & MOs

Info

ID:	313255
PubChem CID:	126613078
Reduced:	SN2F3O4H17C20 (1)
Stoich.:	AB2C3D4E17F20 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-222.09
Dipole, Da:	5.17
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(3-piperazin-1-ylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C#CC4=CSC=C4

DOS

IR

Vibrations