Geometry & MOs

Info

ID:	147052
PubChem CID:	53786542
Reduced:	NO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	1.63
IP(EA), eV:	-8.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1OC)C(=O)C(=CC2=CNC3=C2C=CC(=C3)C(C)C)C)OC

DOS

IR

Vibrations