Geometry & MOs

Info

ID:	199631
PubChem CID:	79274197
Reduced:	ClSO2N4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	3.59
IP(EA), eV:	-9.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=NC2=C1N=CC=C2)CCCl)NS(=O)(=O)C

DOS

IR

Vibrations