Geometry & MOs

Info

ID:	324242
PubChem CID:	126677219
Reduced:	SN5O12C19H39 (1)
Stoich.:	AB5C12D19E39 (1)
Weight, g/mol:	385.1849
ΔH_f, kcal/mol:	-513.51
Dipole, Da:	2.47
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propaneperoxoate

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)OC2C(C(CC(C2OC([C@@H](N)O)OCN(O)SO)N)NC(=O)[C@H](CCN)O)O)O)O

DOS

IR

Vibrations