Geometry & MOs

Info

ID:	382028
PubChem CID:	134972931
Reduced:	NSO9C15H19 (1)
Stoich.:	ABC9D15E19 (1)
Weight, g/mol:	374.143764
ΔH_f, kcal/mol:	-363.12
Dipole, Da:	4.21
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[[(2R,5S)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations