Geometry & MOs

Info

ID:	186678
PubChem CID:	77466386
Reduced:	NO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	669.239638
ΔH_f, kcal/mol:	-140.12
Dipole, Da:	1.68
IP(EA), eV:	-8.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-hydroxyphenoxy]hexoxy]-4-methoxyphenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(C)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC)N

DOS

IR

Vibrations