Geometry & MOs

Info

ID:	302796
PubChem CID:	124395915
Reduced:	BrSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	440.99313
ΔH_f, kcal/mol:	-81.31
Dipole, Da:	2.91
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-fluorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC(=C(C(=C3)Br)OCC=C)OC)C=CS2)C

DOS

IR

Vibrations