Geometry & MOs

Info

ID:	199254
PubChem CID:	79223484
Reduced:	BrSC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	312.05473
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	3.98
IP(EA), eV:	-8.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-methylhexyl)-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)C(CCCCSC1=CC=CC=C1)Br

DOS

IR

Vibrations