Geometry & MOs

Info

ID:	234724
PubChem CID:	92303382
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	279.131802
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	5.44
IP(EA), eV:	-10.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,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=NC(=CC=C1)Cl)C(=O)O

DOS

IR

Vibrations