Geometry & MOs

Info

ID:	207963
PubChem CID:	80474683
Reduced:	BrNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	406.88357
ΔH_f, kcal/mol:	9.97
Dipole, Da:	2.99
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(C1CC2=CC=CC=C2OC1)C3=C(C=CS3)Br

DOS

IR

Vibrations