Geometry & MOs

Info

ID:	381982
PubChem CID:	134972873
Reduced:	BrSeO2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	394.12388
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	1.99
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-methoxyphenyl) 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanethioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CBr)[Se]C

DOS

IR

Vibrations