Geometry & MOs

Info

ID:	44191
PubChem CID:	10501855
Reduced:	N2O3C24H48 (1)
Stoich.:	A2B3C24D48 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-218.72
Dipole, Da:	5.49
IP(EA), eV:	-9.12(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)CC(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations