Geometry & MOs

Info

ID:	270618
PubChem CID:	103637332
Reduced:	BrClNOSH15C16 (1)
Stoich.:	ABCDEF15G16 (1)
Weight, g/mol:	330.94333
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	3.06
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1CSC2=C(C1NCC3=C(C=CC(=C3)Br)O)C=C(C=C2)Cl

DOS

IR

Vibrations