Geometry & MOs

Info

ID:	404728
PubChem CID:	135070088
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	634.222133
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	1.17
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-5-acetamido-3-[(2S,5S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-hydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1)NC(=C2)C(=O)OCC

DOS

IR

Vibrations