Geometry & MOs

Info

ID:	412944
PubChem CID:	135085881
Reduced:	BrSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	330.04806
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	6.08
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-iodohept-1-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations