Geometry & MOs

Info

ID:	347266
PubChem CID:	127272060
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	2.85
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)CNC(=O)C3=CC4=C(S3)CCCC4

DOS

IR

Vibrations