Geometry & MOs

Info

ID:	230207
PubChem CID:	87570421
Reduced:	SO2C39H58 (2)
Stoich.:	AB2C39D58 (2)
Weight, g/mol:	406.02046
ΔH_f, kcal/mol:	-167.43
Dipole, Da:	3.63
IP(EA), eV:	-8.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-bromophenyl)phenyl]-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C#CC4=CC(=C(C=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)S)S)OCCCCCCCCCCCC

DOS

IR

Vibrations