Geometry & MOs

Info

ID:	172821
PubChem CID:	75556734
Reduced:	OSN2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	469.146013
ΔH_f, kcal/mol:	11.83
Dipole, Da:	4.29
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SC(=CC2=CC=CS2)C(=O)N3CCOCC3

DOS

IR

Vibrations