Geometry & MOs

Info

ID:	289659
PubChem CID:	104364146
Reduced:	BrSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	361.97039
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	4.43
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CS(=O)C3=C(C=NC=C3)N)Br

DOS

IR

Vibrations