Geometry & MOs

Info

ID:	445953
PubChem CID:	135270014
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	78.33
Dipole, Da:	4.34
IP(EA), eV:	-9.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)-2-[1-(2-ethylsulfinylphenyl)ethylideneamino]-1-(methylideneamino)ethenamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(C(=N2)C(=N)OC(=N)C3=CC=C(C=C3)CNC)C

DOS

IR

Vibrations