Geometry & MOs

Info

ID:	39857
PubChem CID:	8142582
Reduced:	ON2S2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	408.089226
ΔH_f, kcal/mol:	0.52
Dipole, Da:	7.85
IP(EA), eV:	-8.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCN1C(=O)/C(=C/C=C2C(C3=CC=CC=C3N2CC)(C)C)/SC1=S

DOS

IR

Vibrations