Geometry & MOs

Info

ID:	49538
PubChem CID:	11533201
Reduced:	SN6C28H34 (1)
Stoich.:	AB6C28D34 (1)
Weight, g/mol:	450.128314
ΔH_f, kcal/mol:	100.71
Dipole, Da:	5.09
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2N1C[C@H]3CCCN(C3)CC4=NC=CS4)[C@H]5CCCC6=C5N=CC=C6

DOS

IR

Vibrations