Geometry & MOs

Info

ID:	347274
PubChem CID:	127272068
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	5.26
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2CCN(CC2)C(=O)CNC(=O)C3=CC4=C(S3)CCCC4

DOS

IR

Vibrations