Geometry & MOs

Info

ID:	199635
PubChem CID:	79274773
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	7.6
IP(EA), eV:	-9.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylimidazol-2-yl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCN(CC(=O)O)S(=O)(=O)CC1=CC=CC=C1

DOS

IR

Vibrations