Geometry & MOs

Info

ID:	406086
PubChem CID:	135076465
Reduced:	BrNOS2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	337.9547
ΔH_f, kcal/mol:	96.41
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromothiophen-3-yl)-2-isocyano-1-methylsulfanylethenyl]-1-methylpyrrole

Drug info:

PubChemData

Smile

CSC(=C(C1=C(SC=C1)Br)[N+]#[C-])C2=CC=CO2

DOS

IR

Vibrations