Geometry & MOs

Info

ID:	226674
PubChem CID:	87551012
Reduced:	ClN2O5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-150.77
Dipole, Da:	6.28
IP(EA), eV:	-9.44(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-5-[(2S)-2-isocyanato-2-methoxyethyl]phenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C(C=CC(=C1)C[C@@H]([NH+]=C=O)OC)O.[Cl-]

DOS

IR

Vibrations