Geometry & MOs

Info

ID:	389975
PubChem CID:	134996352
Reduced:	BrC7H7 (1)
Stoich.:	AB7C7 (1)
Weight, g/mol:	269.054421
ΔH_f, kcal/mol:	58.04
Dipole, Da:	1.59
IP(EA), eV:	-9.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(4-methylphenyl)sulfanylimino-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1C(=C2)Br

DOS

IR

Vibrations