Geometry & MOs

Info

ID:	369099
PubChem CID:	127331259
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	4.74
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations