Geometry & MOs

Info

ID:	56897
PubChem CID:	22394789
Reduced:	SN4O6C18H22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-179.36
Dipole, Da:	6.65
IP(EA), eV:	-9.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methylsulfanyl-1-phenylhexane-3,4-diol

Drug info:

PubChemData

Smile

CN(C1=NC(=CO1)C(=O)NC(CC2=CC=CC=C2)C(C(CC#N)O)O)S(=O)(=O)C

DOS

IR

Vibrations