Geometry & MOs

Info

ID:	304168
PubChem CID:	124497836
Reduced:	NOSC9H11 (2)
Stoich.:	ABCD9E11 (2)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	4.69
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-(6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C3=C(N=CC=C3)SC

DOS

IR

Vibrations