Geometry & MOs

Info

ID:	175927
PubChem CID:	75969039
Reduced:	NO5C33H43 (1)
Stoich.:	AB5C33D43 (1)
Weight, g/mol:	473.96921
ΔH_f, kcal/mol:	-181.88
Dipole, Da:	2.57
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)OCC(CO)O)C)C2=CC(=C(C=C2)OC3CN(CC3O)CC4=CC=CC=C4)C

DOS

IR

Vibrations