Geometry & MOs

Info

ID:	317262
PubChem CID:	126635269
Reduced:	BrFSN3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	264.015783
ΔH_f, kcal/mol:	18.88
Dipole, Da:	5.21
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methyl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CNC1=C(N=C(S1)C2=CC(=CN=C2)F)Br

DOS

IR

Vibrations