Geometry & MOs

Info

ID:	181410
PubChem CID:	76744520
Reduced:	SF3O3N6C29H29 (1)
Stoich.:	AB3C3D6E29F29 (1)
Weight, g/mol:	455.165207
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	11.3
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]butyl]phenyl]methyl formate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CCCC1C2=CC=C(C=C2)F)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C5=NN=C(C=C5)C#N

DOS

IR

Vibrations