Geometry & MOs

Info

ID:	325648
PubChem CID:	126684328
Reduced:	ClO2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	347.058027
ΔH_f, kcal/mol:	-239.75
Dipole, Da:	4.27
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-difluoro-4-[2-(4-phenylphenyl)ethynyl]phenyl] thiocyanate

Drug info:

PubChemData

Smile

CCC(CCC(C)C[C@](CC1CC=C(C=C1)Cl)(C(O)OCC)C(=O)OCC)Cl

DOS

IR

Vibrations