Geometry & MOs

Info

ID:	283408
PubChem CID:	103979739
Reduced:	BrSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	5.08
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-diethylphenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)C(C2=CSC3=C2C=CC=C3Br)O

DOS

IR

Vibrations