Geometry & MOs

Info

ID:	17048
PubChem CID:	482877
Reduced:	ClFSN3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	309.050275
ΔH_f, kcal/mol:	16.22
Dipole, Da:	3.08
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-N'-[(2S)-2-fluoro-2-phenylethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CN=C(NC2=NC=C(C=C2)Cl)S)F

DOS

IR

Vibrations