Geometry & MOs

Info

ID:	282390
PubChem CID:	103925056
Reduced:	BrNOSF3C13H13 (1)
Stoich.:	ABCDE3F13G13 (1)
Weight, g/mol:	348.00851
ΔH_f, kcal/mol:	-186.94
Dipole, Da:	4.82
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-cyanobutan-2-yl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(SC1)CNC(=O)C2=C(C=C(C=C2)Br)C(F)(F)F

DOS

IR

Vibrations