Geometry & MOs

Info

ID:	401534
PubChem CID:	135051537
Reduced:	OBr4H10C15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	37.18
Dipole, Da:	4.09
IP(EA), eV:	-9.69(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methoxy-3-methylsulfanyl-1-phenyl-3-sulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)C(C2=CC=CC=C2)(Br)Br)(Br)Br

DOS

IR

Vibrations