Geometry & MOs

Info

ID:	224049
PubChem CID:	85337534
Reduced:	SO2N4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	516.311184
ΔH_f, kcal/mol:	83.8
Dipole, Da:	2.84
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyclohexyl-1-[3-(4-fluorophenyl)-2-(piperazine-2-carbonylamino)propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C(C1C(=O)NC2=CC=C(C=C2)C3=CSC=C3C#N)C4=CC(=CC=C4)C(=NO)N

DOS

IR

Vibrations