Geometry & MOs

Info

ID:	268933
PubChem CID:	103602559
Reduced:	ClNSO2F3H7C12 (1)
Stoich.:	ABCD2E3F7G12 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-187.32
Dipole, Da:	6.27
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CC=C(O2)Cl)SC(F)(F)F

DOS

IR

Vibrations