Geometry & MOs

Info

ID:	84174
PubChem CID:	49864738
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	262.073576
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	7.04
IP(EA), eV:	-10.01(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC(=O)O)NC

DOS

IR

Vibrations