Geometry & MOs

Info

ID:	17084
PubChem CID:	483427
Reduced:	BrClSF2N3H11C14 (1)
Stoich.:	ABCD2E3F11G14 (1)
Weight, g/mol:	404.95137
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	3.38
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-2-yl)-N'-[2-(2,6-difluorophenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations