Geometry & MOs

Info

ID:	365707
PubChem CID:	127318432
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	4.98
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations