Geometry & MOs

Info

ID:	16465
PubChem CID:	470140
Reduced:	BrFSN3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	352.99976
ΔH_f, kcal/mol:	25.87
Dipole, Da:	2.48
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-N'-[2-(4-fluorophenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN=C(NC2=NC=C(C=C2)Br)S)F

DOS

IR

Vibrations