Geometry & MOs

Info

ID:	179728
PubChem CID:	76522317
Reduced:	SN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	283.099063
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.936446
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[2-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCN(C1=O)C2=NC=CS2)C(=O)[O-]

DOS

IR

Vibrations