Geometry & MOs

Info

ID:	146941
PubChem CID:	53775059
Reduced:	SO4N5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	264.050627
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	7.97
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-dichloro-13-thiabicyclo[8.2.1]tridec-5-ene

Drug info:

PubChemData

Smile

CCC1C(=NN(C(=O)S1)C(CC2=CC=CC=C2)NC(=O)N3CC=NC=C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations