Geometry & MOs

Info

ID:	207274
PubChem CID:	80368810
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-58.18
Dipole, Da:	9.23
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1N(C(CS1)C(=O)O)C(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations