Geometry & MOs

Info

ID:	51329
PubChem CID:	12013976
Reduced:	PO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	677.99166
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	2.36
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-iodophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene

Drug info:

PubChemData

Smile

CC[C@H](C)OP1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

DOS

IR

Vibrations