Geometry & MOs

Info

ID:	150194
PubChem CID:	53789881
Reduced:	ClSN2O3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	400.276616
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	4.05
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-4-[4-[4-(4-pentylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2C(C(=O)N2CCCCCCC3=CC=C(C=C3)Cl)CC(=O)N

DOS

IR

Vibrations