Geometry & MOs

Info

ID:	207964
PubChem CID:	80474684
Reduced:	NBr2S2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	326.9751
ΔH_f, kcal/mol:	58.26
Dipole, Da:	5.91
IP(EA), eV:	-8.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)sulfanylethanamine

Drug info:

PubChemData

Smile

CNC(CSC1=CC=C(C=C1)Br)C2=C(C=CS2)Br

DOS

IR

Vibrations