Geometry & MOs

Info

ID:	288008
PubChem CID:	104307126
Reduced:	ClSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	436.86744
ΔH_f, kcal/mol:	28.89
Dipole, Da:	3.8
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-[3-(3-chloropropyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC2=CC=CC(=C2)CCCCl

DOS

IR

Vibrations