Geometry & MOs

Info

ID:	160170
PubChem CID:	57304899
Reduced:	BrO5N12C33H35 (1)
Stoich.:	AB5C12D33E35 (1)
Weight, g/mol:	517.216755
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	6.45
IP(EA), eV:	-8.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[4-(2,6-diphenylpyran-4-ylidene)but-2-en-2-yl]-2,6-diphenylpyrylium

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCN=C(N)N)C)C)NC(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)C(=C)Br

DOS

IR

Vibrations