Geometry & MOs

Info

ID:	408899
PubChem CID:	135081671
Reduced:	N5O5C20H23 (1)
Stoich.:	A5B5C20D23 (1)
Weight, g/mol:	353.169919
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	7.38
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methane;(4-nitrophenyl) N-[(2R)-1-azido-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](CN=[N+]=[N-])NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations