Geometry & MOs

Info

ID:	139755
PubChem CID:	52590030
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	384.154135
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	4.46
IP(EA), eV:	-8.78(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-N-(1-propylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

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CC[C@@H](C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2CN(C)C(C)C

DOS

IR

Vibrations