Geometry & MOs

Info

ID:	249389
PubChem CID:	103089131
Reduced:	ClSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	298.01393
ΔH_f, kcal/mol:	33.88
Dipole, Da:	4.85
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoanilino)-5-methylsulfanylpentanenitrile

Drug info:

PubChemData

Smile

CSCCCC(C#N)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations