Geometry & MOs

Info

ID:	184539
PubChem CID:	77174799
Reduced:	BrN2O2F3H6C11 (1)
Stoich.:	AB2C2D3E6F11 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	3.66
IP(EA), eV:	-9.52(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxy-2-methylpropan-2-yl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)O)Br

DOS

IR

Vibrations