Geometry & MOs

Info

ID:	396104
PubChem CID:	135027387
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	270.107836
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	4.76
IP(EA), eV:	-8.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-butylthiophen-2-yl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC1=CN(C(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations