Geometry & MOs

Info

ID:	449865
PubChem CID:	135302166
Reduced:	NCl2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	302.98411
ΔH_f, kcal/mol:	97.36
Dipole, Da:	3.42
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(5-bromo-2-fluoropyridin-3-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

Drug info:

PubChemData

Smile

C\1=C\C=C(/C=C(\C=C/C=C(\C=C1)/Cl)/Cl)\C#N

DOS

IR

Vibrations