Geometry & MOs

Info

ID:	366573
PubChem CID:	127320102
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	331.192963
ΔH_f, kcal/mol:	-174.25
Dipole, Da:	7.14
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3(CCCCC3)O

DOS

IR

Vibrations