Geometry & MOs

Info

ID:	205658
PubChem CID:	80132199
Reduced:	BrOSF2N2C12H13 (1)
Stoich.:	ABCD2E2F12G13 (1)
Weight, g/mol:	359.93797
ΔH_f, kcal/mol:	-107.73
Dipole, Da:	7.69
IP(EA), eV:	-8.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=S)N)NC(=O)C1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations