Geometry & MOs

Info

ID:	207719
PubChem CID:	80442513
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	410.93309
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	6.21
IP(EA), eV:	-9.05(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methylpentyl)-2-iodo-4-nitrobenzene

Drug info:

PubChemData

Smile

CCCNC1=CC(=NN1C2CCS(=O)(=O)C2)CC(C)C

DOS

IR

Vibrations