Geometry & MOs

Info

ID:	378023
PubChem CID:	134224091
Reduced:	ON5H19C33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	551.140055
ΔH_f, kcal/mol:	172.95
Dipole, Da:	10.53
IP(EA), eV:	-8.0(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)-4,6-bis(4-pyridin-3-ylphenyl)phenyl] hypochlorite

Drug info:

PubChemData

Smile

C1=CC2=C(C3=C(C=C2)C=C/C(=C/4\C=C(C(=O)C5=C4C=CC=N5)C6=NC7=C(C=CC8=C7N=CC=C8)C=C6)/N3)N=C1

DOS

IR

Vibrations