Geometry & MOs

Info

ID:	326458
PubChem CID:	126687598
Reduced:	N2O6C9H18 (1)
Stoich.:	A2B6C9D18 (1)
Weight, g/mol:	541.263544
ΔH_f, kcal/mol:	-283.79
Dipole, Da:	4.57
IP(EA), eV:	-9.97(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-[[(2R,3S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O)N

DOS

IR

Vibrations