Geometry & MOs

Info

ID:	402465
PubChem CID:	135056066
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	402.146072
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	3.9
IP(EA), eV:	-9.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-5-phenylpentyl] methanesulfonate

Drug info:

PubChemData

Smile

CCCC(=O)[C@]1(C[C@@H]1C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations