Geometry & MOs

Info

ID:	220523
PubChem CID:	85197654
Reduced:	NO2S2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	323.982011
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	4.57
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8,9,10-tetrachlorotetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene

Drug info:

PubChemData

Smile

CC1CC(=O)OC1(C)C(C2=CC=CC=C2)N=C(SC)SC

DOS

IR

Vibrations