Geometry & MOs

Info

ID:	168257
PubChem CID:	74941115
Reduced:	ClSF3N4O4H15C21 (1)
Stoich.:	ABC3D4E4F15G21 (1)
Weight, g/mol:	284.13449
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020208
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenyl-1-trimethylsilyloxypropyl)but-2-enedinitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)Cl)C(=O)C3=C4C=CNC4=[N+](C=C3)O)C(F)(F)F

DOS

IR

Vibrations