Geometry & MOs

Info

ID:	38436
PubChem CID:	8055499
Reduced:	SN2O4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-193.27
Dipole, Da:	7.19
IP(EA), eV:	-8.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)C(C)C)OS(=O)(=O)C

DOS

IR

Vibrations