Geometry & MOs

Info

ID:	199634
PubChem CID:	79274229
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	9.9
IP(EA), eV:	-9.73(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzylsulfonyl(prop-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)CN(CC#C)CC(=O)O

DOS

IR

Vibrations