Geometry & MOs

Info

ID:	397208
PubChem CID:	135029891
Reduced:	NSO2H27C30 (1)
Stoich.:	ABC2D27E30 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	17.92
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,13,15-trimethyl-18-thia-3,10,16-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),12(17),13,15-tetraene-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(CCC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations