Geometry & MOs

Info

ID:	392378
PubChem CID:	135015048
Reduced:	S2O8C25H28 (1)
Stoich.:	A2B8C25D28 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-276.29
Dipole, Da:	5.05
IP(EA), eV:	-9.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-(3-amino-2-methoxypyridin-4-yl)-6-phenylmethoxyhexane-2,5-diol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H](C2(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)[C@H]5CCCC(=O)O5)C

DOS

IR

Vibrations