Geometry & MOs

Info

ID:	408897
PubChem CID:	135081669
Reduced:	O4N5H15C16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	429.201219
ΔH_f, kcal/mol:	26.53
Dipole, Da:	6.85
IP(EA), eV:	-9.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations