Geometry & MOs

Info

ID:	234721
PubChem CID:	92303376
Reduced:	N2O7C15H20 (1)
Stoich.:	A2B7C15D20 (1)
Weight, g/mol:	279.131802
ΔH_f, kcal/mol:	-233.04
Dipole, Da:	5.18
IP(EA), eV:	-10.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C(=O)O)O

DOS

IR

Vibrations