Geometry & MOs

Info

ID:	135432
PubChem CID:	51870218
Reduced:	SN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-177.54
Dipole, Da:	7.26
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(CC2)C(=O)C(C)C

DOS

IR

Vibrations