Geometry & MOs

Info

ID:	150936
PubChem CID:	53790633
Reduced:	O2S2C35H50 (1)
Stoich.:	A2B2C35D50 (1)
Weight, g/mol:	268.065493
ΔH_f, kcal/mol:	-87.77
Dipole, Da:	5.14
IP(EA), eV:	-8.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC=C(C=C1)C(=S)SC2=CC=C(C=C2)C=C(C)C(=O)OC(C)CCCCCC

DOS

IR

Vibrations