Geometry & MOs

Info

ID:	180586
PubChem CID:	76657559
Reduced:	N2S2O3C24H40 (1)
Stoich.:	A2B2C3D24E40 (1)
Weight, g/mol:	430.24835
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	4.41
IP(EA), eV:	-8.36(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethenyl]cyclohexyl]-4-hexoxybenzene

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)CC(CC1=CC=CC=C1)C2CC3CCC(C2)N3S(=O)(=O)CCN(C)C

DOS

IR

Vibrations