Geometry & MOs

Info

ID:	161012
PubChem CID:	57390521
Reduced:	SN4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	566.230453
ΔH_f, kcal/mol:	63.55
Dipole, Da:	6.03
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2,4-dihydroxy-3-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C#N)SC3CCCCC3

DOS

IR

Vibrations