Geometry & MOs

Info

ID:	302738
PubChem CID:	124394103
Reduced:	FSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	460.01893
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	6.34
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)[C@H](C)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations