Geometry & MOs

Info

ID:	449685
PubChem CID:	135300624
Reduced:	FN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	303.096754
ΔH_f, kcal/mol:	-229.47
Dipole, Da:	8.72
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl 3-[(4-azidophenyl)methoxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)OCC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations