Geometry & MOs

Info

ID:	284956
PubChem CID:	104085633
Reduced:	ClSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-92.56
Dipole, Da:	1.71
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-(4-methylphenyl)propyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SCC(=O)NC1=C(C=CC(=C1)N)Cl

DOS

IR

Vibrations