Geometry & MOs

Info

ID:	401875
PubChem CID:	135053155
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	372.136159
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	3.67
IP(EA), eV:	-9.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-ethoxy-1-methylbenzo[e][1]benzofuran-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(=O)C=C(O2)S

DOS

IR

Vibrations