Geometry & MOs

Info

ID:	132701
PubChem CID:	51402744
Reduced:	NOSC22H29 (1)
Stoich.:	ABCD22E29 (1)
Weight, g/mol:	464.095476
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H](C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CS3)C(C)C

DOS

IR

Vibrations