Geometry & MOs

Info

ID:	46511
PubChem CID:	10524846
Reduced:	INO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	397.148515
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	5.27
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S,5R,6R)-5-azido-4-hydroxy-2-phenylmethoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)(C3=CC4=C(O3)C(=CC(=C4)C=O)I)O

DOS

IR

Vibrations