Geometry & MOs

Info

ID:	272073
PubChem CID:	103723061
Reduced:	BrNSO2F3H7C8 (1)
Stoich.:	ABCD2E3F7G8 (1)
Weight, g/mol:	307.085384
ΔH_f, kcal/mol:	-210.39
Dipole, Da:	5.41
IP(EA), eV:	-9.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(SC=C1C(=O)NCC(C(F)(F)F)O)Br

DOS

IR

Vibrations