Geometry & MOs

Info

ID:	52853
PubChem CID:	14709081
Reduced:	ClSO2N6H17C20 (1)
Stoich.:	ABC2D6E17F20 (1)
Weight, g/mol:	269.010642
ΔH_f, kcal/mol:	114.89
Dipole, Da:	8.34
IP(EA), eV:	-8.92(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=NN=C(S3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations