Geometry & MOs

Info

ID:	396829
PubChem CID:	135029287
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	79.09
Dipole, Da:	6.85
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S)-3-(4-methylphenyl)sulfonyl-3,14-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8,11-tetraene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=C)N=[N+]=[N-])C2=CC=CC=C2/C=C/C=C

DOS

IR

Vibrations