Geometry & MOs

Info

ID:	141387
PubChem CID:	52871878
Reduced:	FSO2N3C26H26 (1)
Stoich.:	ABC2D3E26F26 (1)
Weight, g/mol:	469.201299
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	8.46
IP(EA), eV:	-8.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)CNC(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations