Geometry & MOs

Info

ID:	441265
PubChem CID:	135233858
Reduced:	O2N3H35C50 (1)
Stoich.:	A2B3C35D50 (1)
Weight, g/mol:	297.92186
ΔH_f, kcal/mol:	174.19
Dipole, Da:	3.63
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-8-chloro-3,4-dihydrodibenzothiophene

Drug info:

PubChemData

Smile

CC/C=C\C1=CC=CC=C1CC2=CC=C(C=C2)C3=CC4=C(C=C3)OC5=CC=CC(=C54)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC9=C8OC1=CC=CC=C91

DOS

IR

Vibrations