Geometry & MOs

Info

ID:	408901
PubChem CID:	135081673
Reduced:	N5O5C14H19 (1)
Stoich.:	A5B5C14D19 (1)
Weight, g/mol:	438.222683
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	8.12
IP(EA), eV:	-10.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methane;(4-nitrophenyl) N-[(2S)-1-azido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC[C@@H](CN=[N+]=[N-])NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations