Geometry & MOs

Info

ID:	219636
PubChem CID:	85164177
Reduced:	NO3H20C27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	527.230788
ΔH_f, kcal/mol:	131.43
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.254288
Charge, e:	0

Chem-info

IUPAC name:

1-O-(2-phenylpropan-2-yl) 5-O-prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C23C(C(C(O2)(C4=CC=CC=C34)C5=CC=CC=C5)[N+](=O)[O-])[C]6[CH][CH][CH][CH]6

DOS

IR

Vibrations