Geometry & MOs

Info

ID:	135433
PubChem CID:	51870219
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	7.71
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)CC[C@@H](C3)C(C)(C)C

DOS

IR

Vibrations