Geometry & MOs

Info

ID:	44747
PubChem CID:	10505723
Reduced:	N3O7C27H27 (1)
Stoich.:	A3B7C27D27 (1)
Weight, g/mol:	505.197644
ΔH_f, kcal/mol:	-100.51
Dipole, Da:	5.72
IP(EA), eV:	-9.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl] 4-(benzoyl)benzoate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@H]4CC(=NO4)CCC5=CC=CC=C5)O

DOS

IR

Vibrations