Geometry & MOs

Info

ID:	188242
PubChem CID:	77687307
Reduced:	F2N3O3C27H27 (1)
Stoich.:	A2B3C3D27E27 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	-169.76
Dipole, Da:	2.87
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylidene-5-(1,2-dihydroxy-3-phenylprop-2-enyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC(=O)NC2=CC=CC=C2)C(=O)C(C)NC(=O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations