Geometry & MOs

Info

ID:	183062
PubChem CID:	76973791
Reduced:	S2N3O8C33H51 (1)
Stoich.:	A2B3C8D33E51 (1)
Weight, g/mol:	134.059367
ΔH_f, kcal/mol:	-385.7
Dipole, Da:	8.73
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-oxo(2,3,4,5-13C4)azolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O.O

DOS

IR

Vibrations