Geometry & MOs

Info

ID:	220596
PubChem CID:	85197929
Reduced:	N3C22H29 (1)
Stoich.:	A3B22C29 (1)
Weight, g/mol:	335.014213
ΔH_f, kcal/mol:	46.01
Dipole, Da:	1.67
IP(EA), eV:	-8.73(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-1,3,5-trithian-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC(C)C1CN(C(=N1)NC(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations