Geometry & MOs

Info

ID:	223543
PubChem CID:	85335209
Reduced:	ClN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	4.24
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)Cl)C(=O)N2CCCCC2C(=O)NC3CC3)C(=O)NO

DOS

IR

Vibrations