Geometry & MOs

Info

ID:	164662
PubChem CID:	74434405
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	306.073953
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	0.77
IP(EA), eV:	-8.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-3-(2,4,6-trihydroxyphenyl)prop-1-enyl]benzene-1,3,5-triol

Drug info:

PubChemData

Smile

CNC1CN(CC1O)C2=NC(=NC3=C2SC4=C3CCCC4)N

DOS

IR

Vibrations