Geometry & MOs

Info

ID:	218146
PubChem CID:	85088950
Reduced:	IO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	434.157682
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	3.35
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C=CI)O)C=CC4=C3C=CC(=C4)OC

DOS

IR

Vibrations