Geometry & MOs

Info

ID:	408449
PubChem CID:	135081215
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	273.121237
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	1.9
IP(EA), eV:	-9.24(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hex-5-ynamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C(N1)C)O)O

DOS

IR

Vibrations