Geometry & MOs

Info

ID:	249512
PubChem CID:	103090152
Reduced:	OSN2C11H24 (1)
Stoich.:	ABC2D11E24 (1)
Weight, g/mol:	303.02925
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	2.62
IP(EA), eV:	-8.72(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoanilino)-5-methylsulfanylpentan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(CO)N1CCCNCC1

DOS

IR

Vibrations