Geometry & MOs

Info

ID:	200317
PubChem CID:	79376438
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	278.088912
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	4.24
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(2-fluorophenyl)ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1C)NC2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations