Geometry & MOs

Info

ID:	185594
PubChem CID:	77318779
Reduced:	ClSN3O4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	450.293409
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	6.29
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-fluoro-1-[4-(4-hexylcyclohexyl)phenyl]pent-4-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)OCC3CCCC4N3S(=O)(=O)C5=C4C=C(C=C5)Cl

DOS

IR

Vibrations