Geometry & MOs

Info

ID:	438343
PubChem CID:	135228076
Reduced:	BrSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	450.04159
ΔH_f, kcal/mol:	-123.13
Dipole, Da:	3.8
IP(EA), eV:	-9.16(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-(3-methylbutoxy)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1(OCC(O1)CC2(CC2)S(=O)Br)C

DOS

IR

Vibrations