Geometry & MOs

Info

ID:	223841
PubChem CID:	85335646
Reduced:	ClSF2N3O6C27H28 (1)
Stoich.:	ABC2D3E6F27G28 (1)
Weight, g/mol:	595.208312
ΔH_f, kcal/mol:	-283.13
Dipole, Da:	4.55
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)sulfonyl-6-(2,4-difluorophenyl)piperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(COC(=O)N1CCN(CC1)C2=CC=NC=C2)C(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl.C(=O)O

DOS

IR

Vibrations