Geometry & MOs

Info

ID:	176649
PubChem CID:	76079393
Reduced:	O2S2C6N6H9 (1)
Stoich.:	A2B2C6D6E9 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	24.39
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892164
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methyl-4-sulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=[N+](C(=S)N2C(=N1)N=C(N2)S(=O)(=O)N)C

DOS

IR

Vibrations