Geometry & MOs

Info

ID:	198778
PubChem CID:	79149291
Reduced:	ClOSN3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	326.94841
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	2.38
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)methylsulfanyl]-2-chloroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC(=O)NCCC#N)Cl)N

DOS

IR

Vibrations