Geometry & MOs

Info

ID:	269847
PubChem CID:	103619399
Reduced:	NOBr2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	402.90641
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	2.53
IP(EA), eV:	-8.37(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(4-methylsulfanylanilino)methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCC2=CC(=C(C(=C2)Br)O)Br)C

DOS

IR

Vibrations