Geometry & MOs

Info

ID:	391726
PubChem CID:	135008959
Reduced:	NSO4C30H33 (1)
Stoich.:	ABC4D30E33 (1)
Weight, g/mol:	466.06411
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	5.48
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-iodotetracyclo[7.6.0.01,13.02,7]pentadeca-2(7),3,5,9-tetraene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2(C[C@H]2/C(=C/C3=CC=CC=C3)/OC(=O)C(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations