Geometry & MOs

Info

ID:	173854
PubChem CID:	75691303
Reduced:	BrSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	308.063092
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	2.53
IP(EA), eV:	-9.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations