Geometry & MOs

Info

ID:	366671
PubChem CID:	127320200
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	8.55
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CC1CCN(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations