Geometry & MOs

Info

ID:	234300
PubChem CID:	92298129
Reduced:	SN3O3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	350.168916
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	6.32
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC[C@@H]1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S

DOS

IR

Vibrations