Geometry & MOs

Info

ID:	162021
PubChem CID:	57393367
Reduced:	OF3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	380.088244
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	9.46
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-benzylsulfonyl-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1CNCCC12CCN(C2)C3=NC4=C(C=C3)N=NN4C5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations