Geometry & MOs

Info

ID:	26182
PubChem CID:	640212
Reduced:	SO4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	332.082874
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	6.57
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chlorophenyl)-3-methyl-3,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2(6),4,7,9(16),10,12-heptaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations