Geometry & MOs

Info

ID:	392432
PubChem CID:	135016190
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	280.040545
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	3.1
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-2-(2-formylphenyl)sulfanylbut-2-enedioate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1COC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations