Geometry & MOs

Info

ID:	161175
PubChem CID:	57390959
Reduced:	SN3O4C26H37 (1)
Stoich.:	AB3C4D26E37 (1)
Weight, g/mol:	318.105608
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	6.22
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(C4=C3CN(CC4)C5CCOCC5)S(=O)(=O)C(C)C

DOS

IR

Vibrations