Geometry & MOs

Info

ID:	220518
PubChem CID:	85197643
Reduced:	N5O5C13H17 (1)
Stoich.:	A5B5C13D17 (1)
Weight, g/mol:	323.158017
ΔH_f, kcal/mol:	-147.6
Dipole, Da:	5.48
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate

Drug info:

PubChemData

Smile

CC(=NC1=NC(=O)N2C=CN(C2=N1)C3CC(C(O3)CO)O)OC

DOS

IR

Vibrations