Geometry & MOs

Info

ID:	275581
PubChem CID:	103816666
Reduced:	OSBr2N2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	32.56
Dipole, Da:	5.31
IP(EA), eV:	-8.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations