Geometry & MOs

Info

ID:	25485
PubChem CID:	625672
Reduced:	Br2N2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	287.98342
ΔH_f, kcal/mol:	40.4
Dipole, Da:	2.46
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)thiochromene-4-thione

Drug info:

PubChemData

Smile

CN(C)CC1=CNC2=C1C=C(C=C2Br)Br

DOS

IR

Vibrations