Geometry & MOs

Info

ID:	164378
PubChem CID:	74392053
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	480.153905
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	6.19
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)sulfonyl-3-phenyl-11-trimethylsilyl-3,6-diazatricyclo[6.3.0.02,5]undec-1(11)-ene-4,10-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(=O)C=C3C4C2C(=O)N4C5=CC=CC=C5

DOS

IR

Vibrations