Geometry & MOs

Info

ID:	449683
PubChem CID:	135300617
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	380.123303
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	2.22
IP(EA), eV:	-8.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl (2S)-2-[(4-azidophenyl)methoxycarbonylamino]-3-pyridin-3-ylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC(C(=O)OCC#N)NC(=O)OCC2=CC=C(C=C2)N

DOS

IR

Vibrations