Geometry & MOs

Info

ID:	398542
PubChem CID:	135033747
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	364.98853
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	1.87
IP(EA), eV:	-9.23(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-bromophenyl)-3-(3-fluoroanilino)-3-methylsulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(CC)OCCCC1=CC=CC=C1

DOS

IR

Vibrations