Geometry & MOs

Info

ID:	284727
PubChem CID:	104064811
Reduced:	BrSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	305.91169
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	6.9
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(E)-3-chloroprop-2-enyl]sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCSC1=CC(=C(C=C1)Br)C(=O)O

DOS

IR

Vibrations