Geometry & MOs

Info

ID:	201396
PubChem CID:	79533200
Reduced:	BrClSN3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	349.04998
ΔH_f, kcal/mol:	41.98
Dipole, Da:	4.72
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(4-tert-butylphenyl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CSC2=C(C=CC(=C2)Br)N)C

DOS

IR

Vibrations