Geometry & MOs

Info

ID:	408898
PubChem CID:	135081670
Reduced:	N5O5C21H27 (1)
Stoich.:	A5B5C21D27 (1)
Weight, g/mol:	413.169919
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	7.45
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[(2S)-1-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C.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