Geometry & MOs

Info

ID:	292076
PubChem CID:	114279736
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	6.01
IP(EA), eV:	-10.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNS(=O)(=O)C2=CC=CC(=C2)CCl

DOS

IR

Vibrations