Geometry & MOs

Info

ID:	199581
PubChem CID:	79268309
Reduced:	SN2O5C12H22 (1)
Stoich.:	AB2C5D12E22 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-239.64
Dipole, Da:	4.39
IP(EA), eV:	-9.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl(but-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)NC1CCS(=O)(=O)C1)CC(=O)O

DOS

IR

Vibrations