Geometry & MOs

Info

ID:	176610
PubChem CID:	76073489
Reduced:	ClSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	248.156501
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	6.92
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-ethylidenecyclohexen-1-yl)but-3-en-1-ynyl]-4-methylbenzene

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)/C=C\3/C(=O)N/C(=C\C(=O)C4=C(N=CC=C4)Cl)/S3)OC1

DOS

IR

Vibrations