Geometry & MOs

Info

ID:	336882
PubChem CID:	127255889
Reduced:	NSO7C12H23 (1)
Stoich.:	ABC7D12E23 (1)
Weight, g/mol:	462.139548
ΔH_f, kcal/mol:	-347.01
Dipole, Da:	0.66
IP(EA), eV:	-10.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-3-(benzoylcarbamothioylamino)-4-(hydroxymethyl)-3-(1,2-thiazol-5-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H](COS(=O)(=O)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations