Geometry & MOs

Info

ID:	377864
PubChem CID:	134223929
Reduced:	ON5H31C32 (1)
Stoich.:	AB5C31D32 (1)
Weight, g/mol:	551.140055
ΔH_f, kcal/mol:	145.25
Dipole, Da:	5.41
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl] hypochlorite

Drug info:

PubChemData

Smile

C/C=C\C(C1=NC(=NC(=C1)C2=CC=CC(=C2)C3=NC4=C(C=CC=C4O)C=C3)/C(=C/C=C\N=C)/C)C(C)N=C

DOS

IR

Vibrations