Geometry & MOs

Info

ID:	138117
PubChem CID:	52315878
Reduced:	O3N4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	410.209324
ΔH_f, kcal/mol:	57.77
Dipole, Da:	23.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772925
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=NN=C(O2)C3=CN=CC=C3)CC4=CC=C(C=C4)C(=O)[O-]

DOS

IR

Vibrations