Geometry & MOs

Info

ID:	134441
PubChem CID:	51696331
Reduced:	NO3C20H34 (1)
Stoich.:	AB3C20D34 (1)
Weight, g/mol:	460.136947
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754412
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-3-[4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C[C@@H](COCCOC2=CC=C(C=C2)C(C)C)O

DOS

IR

Vibrations