Geometry & MOs

Info

ID:	437574
PubChem CID:	135226619
Reduced:	NF2S2O3C25H27 (1)
Stoich.:	AB2C2D3E25F27 (1)
Weight, g/mol:	305.9714
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	4.11
IP(EA), eV:	-8.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-8-ethoxydibenzothiophene

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@](C)(C1=CC2=C(C=C1)SC3=C2C=C(C=C3)C#CC)N[S@](=O)C(C)(C)C)(F)F

DOS

IR

Vibrations