Geometry & MOs

Info

ID:	16283
PubChem CID:	463437
Reduced:	BrClFOSN3C16H16 (1)
Stoich.:	ABCDEF3G16H16 (1)
Weight, g/mol:	430.987
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	3.91
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-N'-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)F)CCN=C(NC2=NC=C(C=C2)Br)S)Cl

DOS

IR

Vibrations