Geometry & MOs

Info

ID:	223601
PubChem CID:	85335295
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	451.133255
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	7.48
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl N-(2-pyridin-4-ylethyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NO

DOS

IR

Vibrations