Geometry & MOs

Info

ID:	408896
PubChem CID:	135081668
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	341.112404
ΔH_f, kcal/mol:	12.52
Dipole, Da:	7.76
IP(EA), eV:	-9.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[(2S)-1-azido-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C.C1=CC=C(C=C1)C[C@@H](CN=[N+]=[N-])NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations