Geometry & MOs

Info

ID:	245244
PubChem CID:	99438011
Reduced:	FN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	429.188626
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	7.72
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[(3R)-1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC[C@H](C2)CNC(=O)NC3=CC(=CC=C3)F)OCC#N

DOS

IR

Vibrations