Geometry & MOs

Info

ID:	218495
PubChem CID:	85089533
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	473.115775
ΔH_f, kcal/mol:	-102.81
Dipole, Da:	8.21
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenoxy)methyl]-7-[(4-methylphenyl)methylidene]-6-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Drug info:

PubChemData

Smile

C1C(C(C1N2C=NC3C2NC(NC3=O)N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

DOS

IR

Vibrations