Geometry & MOs

Info

ID:	184987
PubChem CID:	77237154
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	581.303177
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	1.92
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carbonyl]amino]-4-cyclohexylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)N1)SC(=N2)N3CCOCC3CC4=CNC5=C4C=NC=C5)C

DOS

IR

Vibrations