Geometry & MOs

Info

ID:	313560
PubChem CID:	126615888
Reduced:	NaSN2C5O5H11 (1)
Stoich.:	ABC2D5E5F11 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-251.89
Dipole, Da:	8.53
IP(EA), eV:	-9.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-azido-1-(benzylamino)-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(O)OS(=O)(=O)[O-].C1CN=CN1.[Na+]

DOS

IR

Vibrations