Geometry & MOs

Info

ID:	372746
PubChem CID:	131303878
Reduced:	BrNOF2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	299.96421
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	4.36
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-3-ethyl-6-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CC(F)F)N)Br)O

DOS

IR

Vibrations