Geometry & MOs

Info

ID:	272072
PubChem CID:	103722995
Reduced:	BrClO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	316.9333
ΔH_f, kcal/mol:	-19.66
Dipole, Da:	1.75
IP(EA), eV:	-9.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations