Geometry & MOs

Info

ID:	382431
PubChem CID:	134973575
Reduced:	SO2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	417.019693
ΔH_f, kcal/mol:	21.35
Dipole, Da:	2.39
IP(EA), eV:	-7.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[[5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiol-4-yl]methylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)OC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations