Geometry & MOs

Info

ID:	68417
PubChem CID:	46508371
Reduced:	BrN2S2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	396.92421
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	3.91
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

DOS

IR

Vibrations