Geometry & MOs

Info

ID:	382641
PubChem CID:	134973916
Reduced:	YN4O4H26C31 (1)
Stoich.:	AB4C4D26E31 (1)
Weight, g/mol:	664.246104
ΔH_f, kcal/mol:	78.05
Dipole, Da:	9.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.081687
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-5,8-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN([C@@H]([C@@H]2COC3=CC=CC=C3C(=O)[NH-])COC4=CC=CC=C4C(=O)[NH-])C5=CC=CC=C5.[Y]

DOS

IR

Vibrations