Geometry & MOs

Info

ID:	325650
PubChem CID:	126684338
Reduced:	FN3O4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	347.095555
ΔH_f, kcal/mol:	-134.71
Dipole, Da:	10.99
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclohexyl-2-fluorophenyl)-2,6-difluorophenyl] thiocyanate

Drug info:

PubChemData

Smile

CC(=O)NC(=O)C(C)(C)C1C2=C(C(=CC=C2)F)OC3=C1C=CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations