Geometry & MOs

Info

ID:	77884
PubChem CID:	49666402
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	447.146407
ΔH_f, kcal/mol:	-188.78
Dipole, Da:	3.59
IP(EA), eV:	-9.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxopyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=CN(C2=O)CC(=O)NC(C)(C)C

DOS

IR

Vibrations