Geometry & MOs

Info

ID:	427609
PubChem CID:	135160561
Reduced:	NSC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	438.18496
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	2.2
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-acetamido-5-hydroperoxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC/C=C(\C)/N=C(C)C1=C(SC(=C1)C2CCC(CC2)(C)C)C

DOS

IR

Vibrations