Geometry & MOs

Info

ID:	124796
PubChem CID:	50896382
Reduced:	BrSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	183.064391
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	2.88
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-carbamoylpyrazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(OCC)SC1=CC=C(C=C1)Br

DOS

IR

Vibrations