Geometry & MOs

Info

ID:	408902
PubChem CID:	135081674
Reduced:	N6O6C19H30 (1)
Stoich.:	A6B6C19D30 (1)
Weight, g/mol:	422.191383
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	8.83
IP(EA), eV:	-10.14(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations