Geometry & MOs

Info

ID:	269845
PubChem CID:	103619391
Reduced:	NOBr2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	402.90641
ΔH_f, kcal/mol:	1.69
Dipole, Da:	1.26
IP(EA), eV:	-8.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(3-methylsulfanylanilino)methyl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations