Geometry & MOs

Info

ID:	58483
PubChem CID:	24702036
Reduced:	BrFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	254.125298
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.93
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[butyl(methyl)amino]methyl]-4-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=C(C=C(C=C2)F)Br)C

DOS

IR

Vibrations