Geometry & MOs

Info

ID:	164377
PubChem CID:	74392052
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	4.0
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)sulfonyl-3-phenyl-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=C3CC2C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations