Geometry & MOs

Info

ID:	223755
PubChem CID:	85335529
Reduced:	Cl2O3N4H24C28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	535.215235
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	3.93
IP(EA), eV:	-8.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)N2C(=CC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=CC=C4Cl)Cl)N2)C5CC5

DOS

IR

Vibrations